,smi,activity,dataset
333212,CC1=CC2C([NH3+])CC2([NH+](C)C)C1,0,GDB MedChem
107554,C[NH2+]CC(=O)CNCC[NH2+]C1CCC1=O,0,GDB MedChem
105619,CC1=CCCC[NH+](C)C2(CC2)C1,0,GDB MedChem
71808,CCC1CC=CC2C(=O)CCC1(C)C2=O,0,GDB MedChem
259851,CC1C(CN)C[NH2+]C12CC2[NH3+],0,GDB MedChem
255674,CC1CC=C(C(N)C[NH3+])CC1,0,GDB MedChem
366683,CCC(CC)C1CC1C#CCC#N,1,GDB MedChem
362099,CC1=CC(C)CCC(C(C)(C)O)C1,1,GDB MedChem
223630,C[NH2+]CC1(CCC(N)=O)OCC1N,0,GDB MedChem
318424,C#CCC([NH3+])Cc1ccc(CC)cc1C(C)C,0,GDB MedChem
267273,N#CC(=O)C1(O)CC(=O)C1,1,GDB MedChem
14636,C=CC(O)C1C=C(C)C2CC2(C)O1,0,GDB MedChem
72802,C#CC1COC(=O)C1=CNC(N)=O,1,GDB MedChem
194673,CNc1cc(O)c2c(c1)CC=CC2CO,0,GDB MedChem
229903,Nc1ccc(C2(C[NH3+])CCC2)cn1,0,GDB MedChem
251658,Cc1nc2c(c(CCC[NH3+])c1N)C(C)(C)CO2,0,GDB MedChem
286632,O=S(=O)(C1=CC=CCC=CC1)C1CC1,0,GDB MedChem
297980,CC1Cn2nccc2CCC1(C)OCCC#N,0,GDB MedChem
206480,COC(C(C)C)C(O)CC#CC(C)=O,1,GDB MedChem
276904,CCC1(CC[NH3+])C([NH3+])C1C(C)C,0,GDB MedChem
250474,CC(O)C1NC=C(CCO)C(=O)NC1=O,0,GDB MedChem
261129,O=S1(=O)CCN2CCC[NH2+]CCCCC1C2,0,GDB MedChem
329921,CC1C[NH2+]CCC(=O)C(O)C(=O)O1,0,GDB MedChem
192817,CCCC(C)OCC(=O)C(=O)[O-],0,GDB MedChem
166997,CCC1=C(C)CCC2C[NH2+]CCCC2C1,0,GDB MedChem
57066,CC#CCCc1sccc1C1CC[NH2+]1,0,GDB MedChem
7563,CCOCC(C)(O)COC,1,GDB MedChem
32981,C#Cc1c(C[NH+]2CCCC2)ccc(O)c1F,0,GDB MedChem
200288,C#Cc1cc(NC)c(C)nc1C,1,GDB MedChem
357873,CCC(O)c1c(C[NH3+])cc(N)c(C)c1F,0,GDB MedChem
208056,[NH3+]C1COCC2(CCOC2=O)CC([NH3+])C1CO,0,GDB MedChem
321370,C#CCOC1CC(C)(C)c2cc(C)c(C)cc21,1,GDB MedChem
110126,CC[NH2+]C(C)CCC([NH3+])C1=CCOC1C,0,GDB MedChem
286815,O=C1C#CCCC(C(=O)[O-])[NH2+]C2(CC2)C1,0,GDB MedChem
13307,C#CCC[NH2+]CCOCCC,1,GDB MedChem
116862,OC1C=CCC(O)C12CC2,1,GDB MedChem
232338,CC(=O)C1CC(CO)CO1,1,GDB MedChem
14446,COCC1CC2C([NH3+])C12CO,0,GDB MedChem
197408,CCCC1(C[NH3+])C2=CCC([NH3+])C2C1N,0,GDB MedChem
323605,CC=CCC1=CC[NH+]=C(N)N(C)C1,0,GDB MedChem
217616,CC1CC(CC2CC(=O)C(C)C2(C)C)[NH+](C)C1,0,GDB MedChem
52126,CC(C#CCCO)CC(=O)OC1CC1[NH3+],0,GDB MedChem
227869,CC1[NH2+]C(CN)C2(N)CCOC12,0,GDB MedChem
69298,CC1=CC2(C[NH2+]CCC=CC2=O)OC1,0,GDB MedChem
268413,CCOc1c(F)cccc1CC([NH3+])C(C)C,0,GDB MedChem
190993,C#CC1(C2CC3CCCC32)CC[NH+](C)CC1,0,GDB MedChem
76203,OCC1OCC1C1(CO)COC1,0,GDB MedChem
332080,CCC(C)C(C)([NH3+])C([NH3+])(CCO)C(C)C,0,GDB MedChem
384019,CC#CC1CC(C2CCO2)OC1CCO,0,GDB MedChem
6993,CC(C)(C)OC1C[NH2+]C2CCNC(=O)NC21,0,GDB MedChem
44009,NC(=[NH2+])c1ncccc1N,1,GDB MedChem
123601,C#CCS(=O)(=O)C(C)(C)C(C)=O,1,GDB MedChem
345075,CC12CC=CC3CC1C3C(=O)C2,0,GDB MedChem
25736,OCC(O)C#CC1=CCC23COCOC2C13,0,GDB MedChem
216114,CC1=C2C=C(CO)CCCC2OC12CC2,0,GDB MedChem
272703,c1coc(C2CCC[NH2+]C2)n1,0,GDB MedChem
388970,C#CCc1cc(=NCCC[NH3+])oc(=O)[nH]1,0,GDB MedChem
178441,N#CC(O)C1CC2(CC2)C1,1,GDB MedChem
187274,Cc1nc2c(C)cn(C(N)=O)c(=O)c2nc1O,0,GDB MedChem
227865,CC(C)C1CC([NH3+])(C(C)C(=O)[O-])C1,0,GDB MedChem
52507,C1=C2C(CC[NH2+]C1)CC1OCCC21,0,GDB MedChem
14772,C[NH2+]CCC#CC1CC=C2CC[NH2+]C2CO1,0,GDB MedChem
32732,COC1(C)CC(=O)C=C(C)C1=C1CCC1,0,GDB MedChem
280404,COCC(C)(C#N)C(=O)NC(C)=O,1,GDB MedChem
40689,CC12C#CCC3CC(=O)CC(C3)CC1C2,0,GDB MedChem
238964,CC1=CC=CC(=O)C(C)NCCNC1=O,1,GDB MedChem
194086,CC(=O)C1=CC2(S(=O)(=O)[O-])C=CC1C2,0,GDB MedChem
55817,CC1=CC=CCC2C1CC=C1CCC(O)C12,0,GDB MedChem
226659,CN1CC(=O)OCC2(N)CCC(C[NH2+]C2)C1,0,GDB MedChem
51776,CNC(=O)CC1=CCOC1C[NH3+],0,GDB MedChem
222345,FC(F)(F)C12C=CCC(C=C1)OCO2,1,GDB MedChem
169677,CCCC1(C[NH3+])C=C(C)C2C(C)CC2[NH2+]C1,0,GDB MedChem
117961,C[NH2+]C(C)C(C1CC1)N(C)C1COC1,0,GDB MedChem
228614,CCC#CC1=CN(C)C(=O)C2(C)CC12,1,GDB MedChem
252807,C[NH2+]C1CC=C(CO)C1C1CC[NH+]1C,0,GDB MedChem
266754,CC1=C2CCC(C2)OCC[NH2+]C1,0,GDB MedChem
216796,CC1C2CCCC[NH+](CCO)C12,0,GDB MedChem
64178,C#CC(CC)CC1(CCO)CCC(=O)C(C)[NH2+]1,0,GDB MedChem
148430,[NH3+]C1CCCC#CC2CCC3CCC1=C23,0,GDB MedChem
62863,CC1C(C(N)=O)C1(CCO)C(N)C[NH3+],0,GDB MedChem
96177,C=CC(=CC)C(O)(CC)C(C)C[NH3+],0,GDB MedChem
249035,[NH3+]C1CC1Oc1ccc(CO)o1,0,GDB MedChem
69246,C#CC(C(C)CC)C(C)(Cn1cccc1)[NH2+]C,0,GDB MedChem
250494,O=CNC1CCC2(CCCC2)C1O,1,GDB MedChem
6395,CC[NH2+]CCN=c1oncc(CO)c1N,0,GDB MedChem
240632,CCC(C)(C)C[NH+]1C2COCC2C(O)C1(C)C,0,GDB MedChem
198390,C#Cc1ccccc1C(C)C1CC(C)CC1C,0,GDB MedChem
373528,CCCC1[NH2+]CC2COC(C)(C)C(=O)C1C2C,0,GDB MedChem
121002,CCCc1ccc(C(CC)(CC)CO)[nH]1,0,GDB MedChem
14945,[NH3+]CC1(N(C=O)C2CC2[NH3+])CCC1O,0,GDB MedChem
67271,C#CC1C(C[NH3+])CC12CCO2,0,GDB MedChem
276652,C[NH2+]CC1=C(C)C(=O)CCC2C1C2(C)C,0,GDB MedChem
138056,CCC=C(C)C(CO)=C(C)C(C)=O,0,GDB MedChem
52309,C#CC(CC1[NH2+]CC[NH+](C)C(C)C1C)C(C)C,0,GDB MedChem
252379,C#Cc1cc(C(C)C)c(=N)on1,0,GDB MedChem
240616,C#CC1C[NH2+]C2C=CC3(CC=CC3)CC2C1,0,GDB MedChem
230997,CCC(CC)(OC1(C(C)O)CC1[NH3+])C(N)=O,0,GDB MedChem
68996,CC1CC2([NH3+])CCNC(=O)OC2C(CC[NH3+])N1,0,GDB MedChem
2049,CC1CC2C=CC([NH3+])(C[NH2+]C(C)C1)C2,0,GDB MedChem
220010,COC1C=C(C([NH3+])CO)C(O)C1C,0,GDB MedChem
252826,[NH3+]CC1(NCCO)C=CNC(=O)COC1,0,GDB MedChem
380640,C#CC1(C2=CC(C)C(=O)C2CO)NCC1O,0,GDB MedChem
198507,C[NH+]=C(N)N(C)C1CC[NH2+]C1,0,GDB MedChem
253047,CC1C(=NO)C2OCC2=CCCC2CC21,0,GDB MedChem
174088,CCC1C(COC)=CC(=O)NCC1(C)CC,0,GDB MedChem
35625,C[NH+]1CC=C(CC(C#N)(CN)C[NH3+])C1,0,GDB MedChem
27474,C#CCCC1(C)CCCC2C(CC)CCCC21,0,GDB MedChem
3067,C1=CCCCCCOC(C2CC2)CC=C1,1,GDB MedChem
271234,CCC(C)[NH+]1CC=C2C(O)CC21C(C)(C)O,0,GDB MedChem
226609,CCOc1scc(C)c1COC,1,GDB MedChem
125494,NC(=O)CCNc1ccc(CC[NH3+])nc1,0,GDB MedChem
312655,CC(CO)CC1CNC(=[NH2+])N1,0,GDB MedChem
306530,O=CNCC(=O)C1C=CC(=O)CC1=O,1,GDB MedChem
239888,C#CC1CC(C)C(C)(C)CCC[NH2+]CC1CC,0,GDB MedChem
170347,C#CC(=O)CC1C[NH2+]CC1(C)C,1,GDB MedChem
307215,CCCOCC(=O)OC(C)(C)C,1,GDB MedChem
51757,C#Cc1n[n-]cc(CC)c1=[NH2+],0,GDB MedChem
23239,CC#CC1(C(C)(C)O)CC(=NO)C1,1,GDB MedChem
358066,CCC1=CC=C2CCCC#CC1C1CC21,0,GDB MedChem
300858,C=CCOC1COC(=O)NC12CC2,1,GDB MedChem
134263,C#CC1=CCC(CCC)C([NH3+])(CC)C1O,0,GDB MedChem
259826,CCCCC12CCC3CC=CC3[NH+]1CC2,0,GDB MedChem
306946,C=C(C[NH3+])C1OC(C(C)(C)[NH3+])C1[NH3+],0,GDB MedChem
183928,CC#CC(C)(C)C(O)C1CCC1,1,GDB MedChem
72681,C#CCOCc1cc(CC)n(C(N)=O)c1C#N,1,GDB MedChem
322567,CC=C(C#N)C(=N[O-])C(C)(O)CCO,0,GDB MedChem
42920,N#CC1CC(C2C=CC[NH2+]2)C1,0,GDB MedChem
125456,COC1CCC(C(C)([NH3+])C[NH3+])CCC1(C)[NH3+],0,GDB MedChem
294045,O=C1CC=C2CNCC(=O)S(=O)(=O)CCC12,0,GDB MedChem
84686,C[NH2+]CC1C=CC2(C[NH2+]C2)C1,0,GDB MedChem
246042,CCn1ccc(O)c1C(C)C,1,GDB MedChem
76304,CC1CC2C3CCC32CCO1,0,GDB MedChem
81207,CC[NH+]1CC(c2csc(C)c2)C1,0,GDB MedChem
62322,CC#CC(O)(CO)CC(C)C,1,GDB MedChem
53628,CCC1=C(CO)C(=O)N(C2CC2)C1,1,GDB MedChem
104859,C=CC=C1CC(=C)CC(C[NH3+])C1C,0,GDB MedChem
77472,CC(O)C1(C2[NH2+]CC2O)OCCC1=O,0,GDB MedChem
15185,COC12C[NH+](C)CC1C(O)C2C,0,GDB MedChem
346459,CCCC1(CCCC(C#N)C[NH3+])COC(C)O1,0,GDB MedChem
15059,C#CC[NH2+]C1CCC(O)(CC2CCCC2)CC1,0,GDB MedChem
125310,CCC(C)c1ccc(Cl)c2c1CC([NH3+])C2,0,GDB MedChem
390376,CCC1=C2C=CC([NH3+])C2COC1,0,GDB MedChem
93590,CC1C2CCC=CC=C2CC1(C)C#N,0,GDB MedChem
116223,CCOC1C([NH3+])CC2C[NH2+]CC21,0,GDB MedChem
361449,C#CC([NH2+]C)C1OCC[NH+]2CC1CCC2(C)C,0,GDB MedChem
60075,C#CC1(C2COC2=O)CC(O)C1,0,GDB MedChem
12324,CCC1=CC(O)C(O)C12C[NH2+]C2,0,GDB MedChem
78134,CNc1cnc(C)c(Nc2cn(C)cc2C)c1,1,GDB MedChem
184609,O=CN1CC(C2NC=CC2=O)C1=O,0,GDB MedChem
330423,CC1CN(CCC2CC2O)C1=O,1,GDB MedChem
150787,C[NH2+]C1(CCC2CC2O)CC1N,0,GDB MedChem
382368,C=C1CN(C2C[NH+](C(C)C)C2)C1C,0,GDB MedChem
384631,CNC1=CC(=O)C(CC(=O)[O-])=C1C,0,GDB MedChem
245613,C=CC1=C(C#N)CC2C(=C)CC2C1,0,GDB MedChem
369504,C[NH2+]CCC1(C[NH3+])CC2[NH2+]CC2CN1,0,GDB MedChem
104535,CCNc1[nH]c2nc1CCCCNC(N)=[NH+]2,0,GDB MedChem
135549,CC1CCC(CO)=CC(C2(C#N)CC2)C1,0,GDB MedChem
116120,C#CC1(C)CN(C=O)CC1O,1,GDB MedChem
242510,C#CCNC(=O)C1NCC2CC1([NH3+])CO2,0,GDB MedChem
307160,C#CC1CCC2CCc3sc(C)cc3C2(C)C1,0,GDB MedChem
75998,CC1=C2C(=C3COC3CCS2(=O)=O)C(C)C1C,0,GDB MedChem
358988,COCCC(O)C(C)(C)CCC1([NH3+])CC1,0,GDB MedChem
137623,C#CC([NH3+])CCc1nc2ncoc2o1,1,GDB MedChem
319576,CCC(C1CC1)C([NH3+])C(N)c1nnc[nH]1,0,GDB MedChem
103584,N#CC12CC=CCC1=CCCC=C2C1CC1,0,GDB MedChem
385556,CCC([NH2+]C)c1cc(OCC(O)C[NH3+])cs1,0,GDB MedChem
245168,C#CCC(C)CC1CC(C)=C2C([NH3+])CCC21,0,GDB MedChem
73624,CC(C=NO)[NH+]1CC=CC(C)(C(C)(C)C)C1,0,GDB MedChem
96392,CCCCC12COCC1=CC[NH2+]2,0,GDB MedChem
171178,COCC1(N(C)c2c[nH]c(C)c2)CC1,1,GDB MedChem
73154,CC1=CCC2=C(C3(C)CC[NH2+]3)CCC12,0,GDB MedChem
7487,O=C1NC2=CC[NH2+]CCC2O1,0,GDB MedChem
283143,CC(O)C(=O)C1CC2C(=O)COC21,0,GDB MedChem
256321,C[NH2+]C(C)C1CC(=O)N(C2CCC2)C1=O,0,GDB MedChem
382356,CC1CC2=C(C1)C(=O)C=CCNC(=[NH2+])N2,0,GDB MedChem
348280,CC1CC2=CCC=CC(CO)=C2CO1,0,GDB MedChem
57571,CC1CC2OCC(=NO)C1C2O,1,GDB MedChem
303010,CCC(C)=C1CCC=C(COC)C1,1,GDB MedChem
52610,COC(C#N)C1=CNC(=O)C1OC,0,GDB MedChem
75738,N#CCc1ccc(O)c(=N)o1,0,GDB MedChem
265789,C[NH+](C)C1C(O)CC(C[NH3+])C1[NH3+],0,GDB MedChem
187937,C#CCOC(C)C(CC)c1c(CC)noc1[O-],0,GDB MedChem
283494,CC1OCC(=O)NC2=CC1OC2,0,GDB MedChem
66867,COC1(C)CCCCC(N)=CC1=NO,1,GDB MedChem
94518,Cc1ccn(C=O)c1C1CC1,1,GDB MedChem
191847,NS(=O)(=O)C1(O)C=CCCC1c1cnccn1,0,GDB MedChem
48873,CCCCCC1(C)CCc2c(C)cncc2C1,0,GDB MedChem
175250,CC1CC([NH3+])(CO)CC=C1CC[NH3+],0,GDB MedChem
244209,CC1CC=CC(C)(CC[NH3+])O1,0,GDB MedChem
315388,CC1C(O)C(O)C1[NH2+]C(C)(C)CCO,0,GDB MedChem
272165,CCC(C)c1nc2c(C)cc(CC#N)cc2[nH]1,1,GDB MedChem
209285,C#CC1=C(C)C(C)([NH3+])CC(C)=C(C[NH3+])C1,0,GDB MedChem
109961,O=C1C=CCCN(c2ocnc2CO)C1=O,1,GDB MedChem
215004,CCC(C[NH3+])C1=C(C)C([NH3+])C=CCC=C1,0,GDB MedChem
146178,CCC1(C2=CCCC2)COC2CC2C1C,0,GDB MedChem
395041,C#CC1C(C)C(C)C(C[NH3+])(C[NH3+])C1NC=O,0,GDB MedChem
209225,C#CC1COC(=O)C2C1C[NH+](CC)C2C(=O)[O-],0,GDB MedChem
192787,C=CCCC1CC(C)=C(CC=C)C1,1,GDB MedChem
63886,COC(C#N)c1cc(N(C)c2cscn2)co1,1,GDB MedChem
275816,CC1=CCC2CC2OCC1,0,GDB MedChem
136821,CCC1=C(C)CC(CO)=CCC[NH2+]CC1,0,GDB MedChem
294877,CC1CC2C=CCC(C3CCC3)C[NH+]12,0,GDB MedChem
281354,CNC(=O)C1=C(C2CC2)CCC=C(C)C1=NO,0,GDB MedChem
30513,COC1(C)C=C2CC=CCN2C(=O)OC1,0,GDB MedChem
47288,C#CC1CC(C)C2COCC2C1,0,GDB MedChem
104113,CNCC(C[NH+]1CC=CC=CCCCC1)=NO,0,GDB MedChem
137640,O=C1CCC2C3CCC1C2CC3,0,GDB MedChem
197850,CC(C[NH+]=C(N)N)OC1CC1,0,GDB MedChem
257390,CC1(O)C=CC([NH+]=C(N)N)C1,0,GDB MedChem
306802,CC=C(CC(C)(C)C)C(C)OCC,1,GDB MedChem
179533,CC1(C[NH3+])CC(CO)NC(=O)C1N,0,GDB MedChem
205004,C#CC(C)C(C)n1nc2c(n1)C(C#N)CCC2,0,GDB MedChem
272117,CCCC(C#N)(COCC)C(C)(C)C[NH3+],0,GDB MedChem
361239,COC(C)(C)C([NH+](C)C)C(C)(C)N(C)C=O,0,GDB MedChem
224168,C#CC(N)C1(O)C(CC[NH3+])C1[NH2+]C,0,GDB MedChem
282069,CC(C)(C(N)=O)C(=O)C=CC(N)=O,1,GDB MedChem
286252,CCC1=CCOCCNC2C1CS2(=O)=O,0,GDB MedChem
253100,C#CCC[NH2+]C1C=CC(C)C=CC1,0,GDB MedChem
211392,C#CCC1CC(C2CNC(=O)C2O)O1,0,GDB MedChem
340346,[NH3+]C1COC1COCCCCO,1,GDB MedChem
267807,C#CC(C)(C)c1cn(C(=O)OCC)cc1NC,1,GDB MedChem
164879,CC1=C2NCC(C)C2C(C)C1=O,0,GDB MedChem
136871,C[NH2+]C1C2CC(OC)(C(=O)N2CC#N)C1C,0,GDB MedChem
264798,C#CC(C#N)n1cnc(O)c1,1,GDB MedChem
295090,C=C(C(C)[NH3+])C(N)C(=O)NCC#N,0,GDB MedChem
194784,C=CC1C(CC)C([NH3+])C(C)(C)[NH+]1C,0,GDB MedChem
205564,CCCCc1cc(CC)c(C(C)(CC)CC)s1,1,GDB MedChem
125444,CCC(C)(O)CC12CC[NH+](CCOCOC1)C2,0,GDB MedChem
123890,CC#CC(=O)Oc1cc[nH]c1,1,GDB MedChem
197590,CC(=O)CC1CC(=C2CCC2)C(C)C1,0,GDB MedChem
109435,CCCC1CCOC(CC)CC(CCC[NH3+])C1,0,GDB MedChem
314477,CCC[NH2+]CCCC(C)(OC)C1CC1,0,GDB MedChem
184731,CC1NC2COCC(O)C2C1=O,0,GDB MedChem
206502,CC1CC2CC(=O)CCC2CC[NH+](C)C1,0,GDB MedChem
177696,C#CCC1(C#N)CC[NH2+]CC(CCCC)CC1,0,GDB MedChem
36577,C=CNC(=O)C1(C)[NH2+]CC(O)C1O,1,GDB MedChem
266792,CC1OC(CO)OC1(C)C[NH3+],0,GDB MedChem
131067,C#CC[NH2+]C1CC23CC=C(C#N)C2C=CC13,0,GDB MedChem
293662,CC1=CCCCC#CC2(C)C([NH3+])C=CC12,0,GDB MedChem
128377,COCCOCC(C[NH3+])C1(C)C=CCC1,0,GDB MedChem
93950,CC(C)c1cc(NCCO)nc(=O)[nH]1,1,GDB MedChem
44297,CC1=C(CCCO)C2(CCC2)[NH2+]CCOC1,0,GDB MedChem
37865,C#CC1CC(C)=C(C)C(C)C1,1,GDB MedChem
279540,[O-]c1[nH]ncc1OC1OCC=C1C1CCC1,0,GDB MedChem
178505,C[NH2+]C1CC([NH3+])C(C)=CC1(C)O,0,GDB MedChem
113996,C#CCC(C)c1cc(CC)c[nH]1,0,GDB MedChem
58270,N#CC1CCC2(CCO)C=CC1O2,0,GDB MedChem
14417,C#CC(CO)C(CCO)=NO,0,GDB MedChem
8053,CC1C(NC=O)CC2C[NH2+]C1C2,0,GDB MedChem
339189,CC1C(=O)NCC([NH3+])C1C(O)C#N,0,GDB MedChem
248099,C#CC1(CC)CCc2c(C)cc(O)c(CC)c21,0,GDB MedChem
243253,CC(C)(C#N)C1CCC(=O)NC1,1,GDB MedChem
369170,CCC1=CCC=C(COC)C(C[NH3+])=C1,0,GDB MedChem
198904,C=C(CO)c1c(C#N)c[nH]c1CC,1,GDB MedChem
141096,C#CC1(CC)Cc2c(CCC)coc2C1CC,0,GDB MedChem
250820,CC1C[NH+](C(C)(C)C)C(C)(C2CCCCC2)C1,0,GDB MedChem
92465,C#CC(C[NH3+])c1c(C)[nH]c(C)c1CO,0,GDB MedChem
178114,CC12CCC3C(=O)C(C1)C32,0,GDB MedChem
149106,C#CC=CC12CC1C(C)C=CCO2,0,GDB MedChem
89847,CC1=CCOCCNC1C[NH3+],0,GDB MedChem
152135,C#CCC12CCCC(CCC1)C2,1,GDB MedChem
233718,C=CC12CCC1[NH+]1CCC1CC2C,0,GDB MedChem
147493,C1#CCCC2CC2[NH2+]CC1,0,GDB MedChem
369648,COCCC1C2C=CC([NH2+]2)C1CCO,0,GDB MedChem
237572,C=CC=CCCC1CC(=O)C1CC,1,GDB MedChem
113112,CC1CC#CC(C[NH3+])OC(=O)CNC1(C)C,0,GDB MedChem
397278,C#Cc1[nH]c(C)nc1NC1CC([NH3+])(CC)C1,0,GDB MedChem
167011,CC1=C(C[NH3+])CC(O)C2NC(=O)C1C2CO,0,GDB MedChem
256203,C[NH2+]C1CN2CC(CO)N=C2N(C)C1=O,0,GDB MedChem
59133,CCC(C#CC(C)O)C[NH3+],0,GDB MedChem
31703,C[NH2+]C1CC(N)C1(O)C(C)[NH3+],0,GDB MedChem
191247,C#CC(C(=O)[O-])C(=O)OC1CC1,1,GDB MedChem
72307,CC12CNCC(=O)C(=O)NC1CC2=O,0,GDB MedChem
72300,[NH3+]C12C=CCCCC(O)C=C1CC=C2,0,GDB MedChem
376584,CC#CC12OCC1=CCC2NCC[NH3+],0,GDB MedChem
66528,CC1=CC2=C(C)C[NH2+]CC(CC=C1)C(=O)C2,0,GDB MedChem
115674,CCC1(c2ccc[nH]2)C[NH2+]CC=CCCO1,0,GDB MedChem
137654,CC(C)CC1C2CCCCC1(CO)C(=O)CC2,0,GDB MedChem
48858,CCC(C)C1(C#N)OC(c2ccc[nH]2)C1C,0,GDB MedChem
89967,CCC1CCC2C(C(C)C)C(=O)C2[NH+]1C,0,GDB MedChem
95150,CC1=CC=C2CC(C(C)=C1)C([NH3+])(CCO)C2,0,GDB MedChem
198519,CC1CCC12C#CCOCC(C[NH3+])OC2,0,GDB MedChem
192430,CC([NH3+])C1=CC(O)C2CC=CC1N2C,0,GDB MedChem
10127,C[NH2+]C1CC(C)CC=CC(C)C(C)(C)C1,0,GDB MedChem
202179,CC1CC(COCC(=O)S(=O)(=O)CO)C1C,0,GDB MedChem
275857,C#CC1C2CCCC1[NH+](C)C2C,0,GDB MedChem
294369,O=c1nc([O-])c(CCOC2CC2)co1,0,GDB MedChem
56711,CC([NH3+])(COc1coccc1=O)c1cn[nH]c1,0,GDB MedChem
270016,C=CCC1C(=C)C(C)=CC1([NH3+])CC,0,GDB MedChem
305719,CC1C=CCC(=O)C2C=C1CCCC2C,0,GDB MedChem
43985,CC(C)(C)COCC1C=CCC2[NH2+]CC12,0,GDB MedChem
373341,C#CC(C#N)C1(CC)C(C)C1C,0,GDB MedChem
104906,CC1(C)C=C2COC2C1,1,GDB MedChem
52131,C#CC1CC2OCCC2[NH2+]C2CN(CC2=O)C1,0,GDB MedChem
128174,C#CC(C(C)C)C1C(C)CCCCC1C(C)C,0,GDB MedChem
289572,COCc1cc2c(o1)CCC(=O)C2,1,GDB MedChem
123762,CC1(C(N)=O)CC(CCCC#N)C1,0,GDB MedChem
113099,C#CC(=O)c1sc(C)c2c1CC(C)(C)CCC2,1,GDB MedChem
42914,CC1C(C)C1COC(C)S(=O)(=O)C=O,0,GDB MedChem
321207,C#CCCC1COC(=O)C=CC1C(C)C,0,GDB MedChem
133598,CCCC1CCS(=O)(=O)CC=C1C(C#N)=N[O-],0,GDB MedChem
286935,Cc1ccc(C(C)[NH3+])c(Cl)c1CCC(C)(C)C,0,GDB MedChem
300844,C#CC1=CCC(C)(C)CCCC1,0,GDB MedChem
263662,CCC1CN(C2=C(C)C(=O)CCC2(C)C)C1,0,GDB MedChem
245890,CCCC(C)(O)C1CCC1(C)O,1,GDB MedChem
197898,C#CC12CC1C(C)COC2C#N,0,GDB MedChem
52170,CNC(=[NH2+])NC(C)C1(C(N)=O)CC1[NH2+]C,0,GDB MedChem
380146,COCC(CO)Cc1cc(O)c2c(c1)OCC2,0,GDB MedChem
394843,CCC1C(C)=CC2([NH3+])CC[NH+](C)CC=C12,0,GDB MedChem
393795,CC1=CC=CC2C[NH+](C)C(CC1)C2N,0,GDB MedChem
56050,C#Cc1cocc(NC)c1=O,1,GDB MedChem
18407,CCc1ccc(C)c(CCCC(C)C(C)=O)c1,1,GDB MedChem
22078,CC[NH+](CC1CC1)CC(C)c1ncc[nH]1,1,GDB MedChem
9477,Cc1oc(CCC2CC2)c2c1CNC(=O)C2,0,GDB MedChem
286377,N#CC1C(O)C(O)CN1CC#CC[NH3+],0,GDB MedChem
128408,CC(O)C1COCC(C)(C)C[NH2+]1,0,GDB MedChem
346147,CC(C)C1CC23CC(CC2C3)O1,0,GDB MedChem
239625,CCOC1COCC2[NH2+]CCC21,0,GDB MedChem
201647,CCC1[NH+]2CCCC2C1(CO)CC(C)O,0,GDB MedChem
169819,OC1C#CCCOC2C[NH2+]CC2C1,0,GDB MedChem
195127,C[NH+](CCO)CC1=C(CO)CC=CC=C1,0,GDB MedChem
335398,CCCC1C=CC#CCCOC1,0,GDB MedChem
121211,CC(CO)C(C)CC(C)(CNC=O)C(=O)CO,0,GDB MedChem
171038,CCC1[NH2+]C(C(=O)[O-])CC1(NC)C(N)=O,0,GDB MedChem
336293,N#CC1C(CO)CC2C[NH+]=C(N)NCCC21,0,GDB MedChem
106867,CCC1CC2(OC)CC1C(=O)O2,1,GDB MedChem
357760,COCC#CC1CC2(CC2)CO1,1,GDB MedChem
182949,NC1C=C(C(O)CO)CC([NH3+])C1C[NH3+],0,GDB MedChem
138068,CC(O)c1cn(C(C)C)c(C#N)c1CO,1,GDB MedChem
152918,CCCC12CCCCC(=O)C(=O)N1CCCC2,1,GDB MedChem
46488,CC1OCC(=NO)C=CC(=O)C2C(O)C12,0,GDB MedChem
245222,O=C1CC2CC2C2=C1C=CCCCC2,1,GDB MedChem
190687,CC1CC2OCC([NH3+])C(CC#N)(C1)O2,0,GDB MedChem
208140,CC1CC1C(O)C(=O)CCCO,1,GDB MedChem
38033,C#CC1C(C)C([NH3+])C(C=C)C[NH+]1C,0,GDB MedChem
170735,C#CC1=C(C)CC(C[NH3+])=CC=CC1(C)C,0,GDB MedChem
278634,CC(Cc1c[nH+]c(N)[nH]1)[NH2+]CCC#N,0,GDB MedChem
48401,C#CCC(C)C1CC1(C)[NH2+]C,0,GDB MedChem
111377,CCC1C(=O)CCC2C=CC[NH2+]C2C1O,0,GDB MedChem
397259,CC(C)C[NH+]1CCC2=CC3C(C)C3C21,0,GDB MedChem
96388,C#CCC1C(C)=C(CCC#N)CC12CC2,0,GDB MedChem
155908,C#CCC(O)C(=O)Cc1c(C)cccc1C,1,GDB MedChem
309906,CCc1nc(=NC)c(N)c(C)o1,0,GDB MedChem
360177,CC1C=C(C2CN(C=O)C2=O)C[NH2+]1,0,GDB MedChem
208195,ON=C1C=CC2(CC1)COCc1cocc12,0,GDB MedChem
294068,CC1=C(c2ccsn2)COCC=C(CO)C1,0,GDB MedChem
78179,[NH2+]=c1cc[n-]nc1CC1=CC=CC1,0,GDB MedChem
339857,CC(C)(C)C(C)(CC[NH3+])C(C#N)c1ccno1,0,GDB MedChem
192025,CN1CC=C(CC2CC2)CC(C)(O)C1C#N,0,GDB MedChem
353839,CC1=CC=CC(C)=C2CC[NH2+]C1(C)C2,0,GDB MedChem
24194,C#Cc1cnc(CCCC(C)([NH3+])C#N)[nH]1,0,GDB MedChem
332049,O=C1CC2C(O)C=CC2CO1,1,GDB MedChem
169256,CCC1(c2ncc3cccc-3o2)CCC1,0,GDB MedChem
169515,CCc1ccc(O)c2c1C(C)C(C)(C)COC2,0,GDB MedChem
15140,CC1=CN(CC(C)O)C(=O)C=CC(C)[NH2+]C1,0,GDB MedChem
184446,CCC[NH+](C)C1(CC(C)C)CCC1C,0,GDB MedChem
293236,CCCC(C)C1([NH2+]C)CC[NH2+]C2CCCC1C2,0,GDB MedChem
198461,CC1CCC(C#Cc2cscc2[O-])CC1,0,GDB MedChem
96401,[NH3+]CCC1=CS(=O)(=O)C(O)=CC=C1,0,GDB MedChem
268904,C#CCC(O)C1CC(OC)C(=O)C(C)(C#N)C1,0,GDB MedChem
237606,CCc1c(C)c(OC)c2coc([O-])c2c1Cl,0,GDB MedChem
371631,Cc1coc(=N)c2c1CC(C)(C(C)C)CCC2,0,GDB MedChem
124956,C[NH+](C)C1CC2=CCC(CO)C2(O)C1,0,GDB MedChem
31520,Cc1cc(CC2COCC([NH3+])C2)c(C)o1,0,GDB MedChem
204978,CC#CCOc1oc(=[NH2+])[n-]c(=[NH2+])c1OCC,0,GDB MedChem
211699,C[NH2+]C1C2CN=C(NC(C)=O)NC21,0,GDB MedChem
360139,CC1CCC2C(N(C)CC1)S(=O)(=O)CN2C,0,GDB MedChem
227850,CC(O)C1[NH2+]CC2CN(C=O)C21,0,GDB MedChem
387804,C[NH2+]C1CCC(CCO)CC1NC=O,0,GDB MedChem
229953,C#CC1(C)OCC=C(C)C2CC21,1,GDB MedChem
231248,O=C1CCC2NC1CC(O)C2=NO,0,GDB MedChem
56702,[NH3+]C1CCC1C1COC1=O,0,GDB MedChem
223344,C[NH2+]C1CCCC2([NH3+])CC[NH2+]CCC1C2,0,GDB MedChem
33012,CC1(C2C3C=CC(=NO)CC2O3)CC[NH2+]1,0,GDB MedChem
12353,C[NH2+]C1(C(O)C2=CCC(C)=CC[NH2+]C2)CC1,0,GDB MedChem
220910,CN1C(C(C)(C)C)C=CCOS1(=O)=O,1,GDB MedChem
362128,C#CC1([NH+](C)CCC(O)C[NH3+])CCC(C[NH3+])C1,0,GDB MedChem
53121,CC(CC1(O)CC1)n1nc([O-])cc1CO,0,GDB MedChem
325502,CCC(C)(O)C1CCC2(CC(C)=CC2C)O1,0,GDB MedChem
396788,N#CC12CCCC[NH+]1C1CC(C[NH3+])C1C2,0,GDB MedChem
39376,CC1CCC(CC23CCOC2CO3)C1,0,GDB MedChem
125763,CC1(C)CC2CC(O)C=CC2CC[NH2+]1,0,GDB MedChem
244224,C#CC(C)CC1C=CC2=CC(C)OCC21,0,GDB MedChem
42930,CNc1ccc(C(C)([NH3+])C(C)C(C)(C)C[NH3+])[nH]1,0,GDB MedChem
286256,CCOC1(C(C)=O)C=C(C)CCC(C)=C1,1,GDB MedChem
348362,CC[NH+]1CC=C2CCCC=C2C(C)(C)C1,0,GDB MedChem
249775,CCc1sc2c(c1CC)C(C)=C(C)C2,1,GDB MedChem
10502,C#CC(C)C1(C)C[NH2+]C1C1CC1,0,GDB MedChem
132029,CCC1(C)COC(=O)c2scc(c2C)CC[NH2+]1,0,GDB MedChem
131779,CC1C(O)C=CC2CC21C(=O)C(F)(F)F,0,GDB MedChem
59741,CNC12CC[NH2+]CC=CC(=O)C1C[NH2+]C2,0,GDB MedChem
7642,CC1=CCC(CC[NH3+])CC1,0,GDB MedChem
22362,CCC1=CCOC2CCC(CC=CC1)C2,1,GDB MedChem
127827,C1=CC(C2=CC[NH+]3CCC23)CC1,0,GDB MedChem
127388,COC1C=CC(=NO)C(=O)C2CC2O1,0,GDB MedChem
12370,COCC1CC1COc1nc(O)c([O-])o1,0,GDB MedChem
301824,C#CC(=NO)C1CC(O)(CCO)C1=C,0,GDB MedChem
226070,CCC#CC12C[NH2+]CC(O)C1C2NC=O,0,GDB MedChem
588,CC(C)C(C(C)[NH3+])C1(C#N)CC1,0,GDB MedChem
219229,C#CC1=CC2C(C1)C2(O)C([NH3+])C1CC1,0,GDB MedChem
141407,[NH3+]C1C=CC(C2C=C3CCCCC3CO2)C1,0,GDB MedChem
55886,CN(C=O)C1CC12CNC(=[NH2+])NC2,0,GDB MedChem
136382,C#CCc1[nH+]c2n(c1C)CC(C)C[NH2+]CCN2,0,GDB MedChem
380102,C=C1C(CC)COC12C=CC1CC12,0,GDB MedChem
369566,C#CC([NH3+])C1CCOC2CC2([NH2+]C)CN1,0,GDB MedChem
9292,C[NH2+]C1C#CCCC2[NH2+]CC=C2C(C)C=C1,0,GDB MedChem
309750,N#Cc1c[nH]cc(N)c1=O,1,GDB MedChem
319083,C#CC(CO)OCc1coc(CC(=O)CO)c1,1,GDB MedChem
280978,C#CC(C)C1CCC(C)C1C,1,GDB MedChem
150830,N#CC1=CC([NH3+])C(O)CC1,0,GDB MedChem
293461,CC1CCC2COC(c3cnc([O-])o3)C2O1,0,GDB MedChem
133870,CC#Cc1csc(NC2(C)CC(=O)C2)c1,0,GDB MedChem
90799,COC(C[NH3+])C1OCC2C[NH2+]CC21O,0,GDB MedChem
294078,C#CC1=C2C(C)C(C)CC2([NH3+])CC(CC)C1,0,GDB MedChem
52656,CC#CC1CC(CC)(C2CC2)[NH2+]1,0,GDB MedChem
179059,Cc1ccc(O)c2c1C(C)(CO)CC(=O)C2,0,GDB MedChem
57616,N#CC(c1coc(=N)o1)C1CC(=O)C1,0,GDB MedChem
169930,CCC12[NH2+]CC=C1CCOC2=O,0,GDB MedChem
327656,COCCC[NH+](C)C1(C(O)C[NH3+])CC1,0,GDB MedChem
36653,CCC(CC)([NH+](C)C(C)(C)C)C1(C)CCCO1,0,GDB MedChem
287610,CC=C1C(O)C2OCC(C(N)=O)C12,0,GDB MedChem
370862,CC([NH3+])C(C)c1ccc(N)[nH+]c1N,0,GDB MedChem
90780,CC1[NH2+]CC12CCCC2[NH3+],0,GDB MedChem
376620,Cc1[nH]c(=[NH2+])sc1C(C)C[NH+](C)CC(C)C,0,GDB MedChem
276597,C=C1C(C[NH3+])=CCCNC(=[NH2+])N1C,0,GDB MedChem
71802,CCC(CO)(Cc1cc[nH]c1CO)[NH2+]C(C)C,0,GDB MedChem
39165,COC1C(C(C)O)CC1n1cnnc1,0,GDB MedChem
178205,CC=Cc1nc(CC[NH3+])ccc1O,0,GDB MedChem
127947,[NH3+]CCC1(C[NH3+])NCCC=CNC1=O,0,GDB MedChem
314466,CC1(C#N)OCC1=Cc1cocn1,0,GDB MedChem
360003,CC1C(C)C1C(C#N)Cc1cnc(O)[nH]1,0,GDB MedChem
14954,C[NH2+]C1C(O)C1(C)C(C)NC(N)=O,0,GDB MedChem
132649,CC1=CCC(C)(C(C)([NH3+])C[NH3+])C=C(C)C1C,0,GDB MedChem
212474,[NH3+]CC12CC(CC=CC3CC3C1)C[NH2+]2,0,GDB MedChem
52555,C#CCCC1(CC=C)CC(C)CO1,0,GDB MedChem
44811,COCC(C=NO)(CC1C(C)C1O)C(C)C,0,GDB MedChem
223811,CC(=NO)C1=CC[NH2+]CC2(C)COC12,0,GDB MedChem
361491,CC1(C)c2cnc(C(N)C#N)cc2CN1C=O,1,GDB MedChem
317867,C#Cc1cnc(O)c2[nH]c(=O)cc(C(N)=O)c12,0,GDB MedChem
122584,O=C1C=C2C(OCCO)CN2C(=O)C1,0,GDB MedChem
178611,C#CCCC(C[NH2+]CCC)C(C)(O)C(C)CO,0,GDB MedChem
217822,CCC1CCOCC=CC1C#N,1,GDB MedChem
98168,C=C1C(C)N2C1CC=CC2C(C)[NH3+],0,GDB MedChem
302060,C#CC1([NH2+]CC(O)CCO)CC1,0,GDB MedChem
197594,CC12C=C(CCC1O)C(=O)COCOC2,0,GDB MedChem
224863,NC(=O)OC1CC(=O)C2C(CO)C12,0,GDB MedChem
37800,C#CCCc1cocc1C(C)(O)CC[NH3+],0,GDB MedChem
348298,CCC1C#CC=C(C[NH3+])C=CN(C)C1=O,0,GDB MedChem
138484,C#CC1(O)C(C#N)C2CC(=O)CNCC21,0,GDB MedChem
52414,Cc1cn(C)cc1NC(C)C1=CCCOC1,1,GDB MedChem
238979,N#CC1C=CC2CC3CC3C=C12,1,GDB MedChem
147466,C#CC1C(CO)C(CC2(O)CC2)[NH+]1C,0,GDB MedChem
78214,C#CCC1CC2C(CC2(C)C)C1C[NH3+],0,GDB MedChem
42150,CCC#CC([NH3+])C(O)C(C)O,0,GDB MedChem
115652,CC#CC1C(=O)C=CC(=O)C(=NO)CC1O,0,GDB MedChem
229922,CC1[NH2+]CC2OCC2(C#N)C1NCCO,0,GDB MedChem
189541,CC1C2CC3CC=CCC31CO2,0,GDB MedChem
390323,CCS(=O)(=O)CC#CCN1CCC1,1,GDB MedChem
302038,C#CC(C)(C)C(=O)CC(C)(C)C1(C)CC[NH2+]C1,0,GDB MedChem
335358,CCOC1C(C)C1C(=NO)c1cnc(=O)sc1,0,GDB MedChem
353790,CCC1CC2(C)C[NH+]1C(C)CC(=O)C2C(C)C,0,GDB MedChem
341485,CNC1C[NH2+]CC(C)C2=C1C(=NO)C(O)C2,0,GDB MedChem
151461,C=C(C=C1C[NH2+]C1)C(=CC)CC[NH3+],0,GDB MedChem
66544,CCC1C(=O)C(OC)C(C)(CO)C1CO,0,GDB MedChem
307393,C=CC1(CO)CCC2=C1CC=CC2,1,GDB MedChem
344420,CCCC1[NH2+]CCNCC1N,0,GDB MedChem
282078,C[NH2+]C(C)C1C=CC([NH3+])CC1C,0,GDB MedChem
102583,C=C(C=CC)CC#CC(C)C(=C)C,0,GDB MedChem
342787,CCC1OC(C[NH2+]C)C(C)Cc2ncccc21,0,GDB MedChem
101778,CC#CC(COCC)Cn1ccnn1,1,GDB MedChem
186808,CC1C[NH2+]C(CO)CN1C,1,GDB MedChem
144904,COC1C=CC(C)[NH2+]CC(OC)C1C,0,GDB MedChem
149829,COCC(C)C(C(C)=NO)C1(C)CCO1,0,GDB MedChem
46596,CCN1CC[NH2+]CC(C)(O)C1,0,GDB MedChem
15758,C#CC1[NH2+]CC2C[NH2+]C(CC)C21,0,GDB MedChem
48859,[NH3+]C1(CO)CC([NH2+]CC2CC2)C1,0,GDB MedChem
332094,C#CC1C2OC(C3CC3[NH3+])OC12,0,GDB MedChem
168704,O=CN1CC=C(C2CCC2)CCC1,1,GDB MedChem
226305,CCCc1ccnc(C(C#N)NC=O)c1,1,GDB MedChem
282153,CC1([NH3+])CC2=CC[NH2+]CC#CC=CC1=C2,0,GDB MedChem
369531,O=C1C=CNC(C2CC2)C1,1,GDB MedChem
184437,CC1=CC([NH3+])C2=CCC=CCC#CCC12C,0,GDB MedChem
300820,C[NH2+]C1CC2CC(CNC1=O)C(=O)N2,0,GDB MedChem
393755,CC1(CO)CC(OCCO)C1,1,GDB MedChem
62733,C#CCCOC(=O)C(=CN)CCO,0,GDB MedChem
127375,C1=CC2CC=CC[NH+]2CCC1,0,GDB MedChem
45521,[NH2+]=c1cc(F)cc2c1ccc1c([O-])conc12,0,GDB MedChem
5982,CC1CC1CC1CC([NH3+])C(=O)O1,1,GDB MedChem
62604,C=C1C=CC(O)(CC#CC)C(=C)C1,1,GDB MedChem
178948,C=C(C)CC1=CC(=O)NC(C)CN1,1,GDB MedChem
93876,CCCC(C)C1(C[NH3+])CC1n1ccnc1,0,GDB MedChem
2801,CC1COCCC2C=CC(O)C2[NH2+]1,0,GDB MedChem
362154,CC([NH3+])CC(C(C)C)C1CC[NH2+]C1,0,GDB MedChem
135755,[NH3+]CCC(O)CC1(C(O)CO)COCCC1O,0,GDB MedChem
209321,CCn1c(-c2ccc(CCO)cc2)c[nH]c1=[NH2+],0,GDB MedChem
45500,CC1CCC2CC2(CC2CC2)C1,1,GDB MedChem
24317,CC=C1COC(C2C=CCC2)OC1,1,GDB MedChem
125520,C#CCC1(C2CC[NH+](C3CC3)C2)CC1,0,GDB MedChem
371653,C#CCC1([NH3+])C=CC(C)OC(=O)C1C,0,GDB MedChem
320208,CC1OCC2=C1C(C)C(O)C2,0,GDB MedChem
31741,C#CCCC(NC1CC1[NH3+])c1cc[nH]c1,0,GDB MedChem
174543,C#CC1(OC)CC(O)C([NH3+])C1C(C)(C)[NH2+]C,0,GDB MedChem
267472,C=C1CC2OCC(=CC)C(O)C12[NH3+],0,GDB MedChem
316886,CC1=C(C(C)(C)C[NH3+])CC[NH2+]C12CC(C)C2,0,GDB MedChem
334897,CCc1cc(CC(C)C(C)C)cc(NC)c1Cl,1,GDB MedChem
373552,CN1C(=O)CC2[NH2+]CCCC(C)([NH3+])C(O)CC21,0,GDB MedChem
350638,COc1c(C2CCC2)c[nH]c1C(C)(C)C,1,GDB MedChem
348975,C#CC[NH+]1CCC1C1CC(C[NH3+])O1,0,GDB MedChem
25646,COC1CCC(C2=CC=CC[NH+](C)C2)CC1,0,GDB MedChem
175041,CC1(O)CC[NH2+]C1C(C)(O)CN(C=O)C(N)=[NH2+],0,GDB MedChem
187280,CC1=C(C)C([NH3+])(CCC(C)(C)[NH3+])C2CC2C1,0,GDB MedChem
238948,C#CC1NC(=O)C(=O)C(C)C1N(C=O)C(N)=O,0,GDB MedChem
388157,CC(O)C(=O)C1=CCNC1=O,1,GDB MedChem
94303,C1=CCC=C(C2CC=CC3(CC3)CO2)C=C1,0,GDB MedChem
292638,C[NH+]1CC(C)(Cn2cc(O)c(=O)[nH]c2=O)C1,0,GDB MedChem
199258,CC1=CC(C)CCN(C(N)=O)C1,1,GDB MedChem
170342,CCC1=C(C[NH+]=C(N)N)C(C)CCCC1,0,GDB MedChem
113423,C#CC(O)CC(C)(CO)c1cc(C)oc1O,0,GDB MedChem
86672,C#CCC(C[NH2+]C)(CC(C)(CC)CC)C(C)C,0,GDB MedChem
159056,[NH3+]C1CC2C=CCCC#CC=CC12,0,GDB MedChem
204087,[NH3+]C1CC(C(O)C2CC2)C2(CO)CCC=C12,0,GDB MedChem
325948,C#CC1=CCCOCC1,1,GDB MedChem
211622,CCOC(C(C)CCCC(C)C)C(C#N)C[NH3+],0,GDB MedChem
255750,CC(CC#N)CC1CCC2(OCCO2)C(C)C1,1,GDB MedChem
369399,CC1CCC2CCC(CCN2c2ccoc2)C1,0,GDB MedChem
253864,C#CCC1C=CC2=CC[NH2+]CCC2C1=O,0,GDB MedChem
247884,C[NH2+]C(C(C)C)C(C)C#CC[NH3+],0,GDB MedChem
337594,C#CC1CC=CCC2C(OC)C12,0,GDB MedChem
102518,CC1(NC=O)CCOC2OCCC(=O)NC2C1,0,GDB MedChem
159086,CCCc1nc(CC)c(C#CCO)o1,1,GDB MedChem
34504,[NH3+]Cc1cccc2c1C1CCC=C1C=CC2,0,GDB MedChem
80885,CC(C1CCC=C(C#N)C1)[NH+]1CCC1,0,GDB MedChem
58204,CCC1[NH2+]C2COCC12,0,GDB MedChem
22927,C[NH2+]CC(C[NH3+])C(O)C=CC(N)=O,0,GDB MedChem
113077,CCC1(Cc2oc(=O)oc2C)CC1,1,GDB MedChem
99333,C#CC(C)CCCCOCC1(C)COC(C)C1,1,GDB MedChem
15055,CCN(CC)c1cc([O-])oc(=[NH2+])c1C,0,GDB MedChem
303205,CC1=CCC=CC2C=CC[NH+]2C1,0,GDB MedChem
388140,CC1(C)C(O)CCC2C([NH3+])C21,0,GDB MedChem
172191,CCC1=CC2(CC2)c2c1ncc(C)c2CO,0,GDB MedChem
195888,C#CCC1=C(C(N)=O)C(C)OC1COC,0,GDB MedChem
123939,CCC(C)(O)CC1OC2C[NH+](C)CC1(OC)C2,0,GDB MedChem
353774,C#CC(C)C1C(C)[NH2+]CC1(CN)C(C)(C)[NH2+]C,0,GDB MedChem
155962,CC1[NH2+]C(C)C12CCCCN2,0,GDB MedChem
116196,C[NH2+]C(C)C1=CC(C)(C)[NH2+]CC(N)C=C1,0,GDB MedChem
285514,C#CC(=O)OCC(C)C(=O)CC,1,GDB MedChem
193380,CCc1cc(CC(C)C(C)C(C)CC)n(C)c1,1,GDB MedChem
131097,CC1C(O)C(=O)C1(O)CCO,1,GDB MedChem
53573,NC(NC=O)=[NH+]C1Cc2csc([O-])c2C1,0,GDB MedChem
318968,CC1=C(C2[NH2+]CCC2=O)COC1CC#N,0,GDB MedChem
211555,CCc1cc[nH]c(=[NH2+])c1C1([NH3+])CCCC1,0,GDB MedChem
264411,OCC1(O)CCC1CCC(F)(F)F,0,GDB MedChem
132643,CC#CC1(C)C2CCCC=C(C)C1CCO2,0,GDB MedChem
347417,CC#CC(C)(C)N1CC(=O)C(OC)S1(=O)=O,0,GDB MedChem
41256,N#CC1=CN(C=O)CC=CC1,0,GDB MedChem
59509,CCCCC1CC[NH+]2CCC12,0,GDB MedChem
341482,CC(=NO)C1=CCCC2=CC(C[NH2+]CCC2)C1,0,GDB MedChem
76131,CCC1=C(CC)NS(=O)(=O)C(NC=O)C1,0,GDB MedChem
125200,CCCc1c(C(=O)CC)coc1C1CC1C,1,GDB MedChem
238273,CC1OCC=C1C1CC1C,0,GDB MedChem
9148,CCCc1cc2cc(NC)c(C)[nH]c-2[nH+]1,0,GDB MedChem
51803,CC(C1C[NH2+]C1)C1C(=NO)C([NH+](C)C)CC1O,0,GDB MedChem
216744,C#CC1CC2(C3CC3)OCCC1C2C,0,GDB MedChem
358993,CC(=O)C1C(=O)OCCC(C)=C2COC21C,0,GDB MedChem
89855,C#CC12CCC(OCC)CCC1CCC2CC,0,GDB MedChem
360229,CC[NH+](C)CC1CC12COCCN2,0,GDB MedChem
63738,CCC1C[NH2+]CC=C1C(C)[NH3+],0,GDB MedChem
326185,CN1CC2OCC(O)C(O)C21CC#N,0,GDB MedChem
347729,CCC(C(N)=O)C(CN)[NH2+]C,0,GDB MedChem
38646,CCCc1[nH]cc(C[NH3+])c1C[NH3+],0,GDB MedChem
281619,CCC1C2=CCCCC2=CCC2CC2C1[NH3+],0,GDB MedChem
268250,CC#CC1=C2C(CN2C(=O)C[NH3+])OC1,0,GDB MedChem
226060,CCC1[NH2+]CC(=O)C12COC2C1CC1,0,GDB MedChem
220011,C#CC1CC2CNCC[NH+]2CC(C(C)(C)C)[NH2+]1,0,GDB MedChem
52437,CC(C)C12C#CC=CC[NH+](CCO1)CC2,0,GDB MedChem
57607,CCCC(C)C1CCC(CCCOC)C1,0,GDB MedChem
239916,CC#CC12CCC(C)C(C[NH+]1C)C2,0,GDB MedChem
324373,C#CC1CCC1(C)CC1[NH2+]CCC=CC1C,0,GDB MedChem
135571,N#CC1C2CCC([NH3+])(C2)CN1C1CC1,0,GDB MedChem
309927,O=C1CC2C(CO)OC(CCO)C2C1,0,GDB MedChem
35229,CCCCn1c(CC)cc(CC2CC2)c1O,1,GDB MedChem
335630,C#CC(CO)C1=CC(=NO)CCN1,0,GDB MedChem
48976,CCC1=C(C)C=CCC([NH3+])C1(O)CC#N,0,GDB MedChem
314299,C#CC1=C(C)CC2(C)CC(C)=C(CC1)C2,0,GDB MedChem
281507,CC12CC1OC(S(=O)(=O)C1CC1)C2,0,GDB MedChem
107348,C[NH2+]C1C=CCCC(O)C([NH3+])C#CC1N,0,GDB MedChem
65507,CCc1c(O)c(C#N)cc2c1CC(O)C2(C)C,1,GDB MedChem
3117,CCc1cscc1Cc1c(C)cc(=O)sc1N,0,GDB MedChem
5968,C#CCC1=CC(=NO)CC(C)[NH2+]C2C(C)C12,0,GDB MedChem
175494,[NH3+]c1ccc2c[nH]cc(CC3COC3=O)c1-2,0,GDB MedChem
3057,CCCC(CC)C12CC=CC(O1)C(C)C2,1,GDB MedChem
163674,O=C1CCCC(=O)OCO1,1,GDB MedChem
144912,C#CC(O)C(=O)C1C(O)C1OC,1,GDB MedChem
65547,CC1NC(=O)NC(CCO)C12COCO2,0,GDB MedChem
384929,C#CC1C=C(CCCO)CC=CCCC1,0,GDB MedChem
44205,C#CC1C(C)=C2CC3C=C(CO)C1C23,0,GDB MedChem
40663,CCC1(C#N)CCCC1OCC(=O)CO,1,GDB MedChem
113853,CNc1[nH+]cc(C)c2c1OCO2,0,GDB MedChem
92436,CC1C(C[NH3+])C1(O)C([NH3+])CN,0,GDB MedChem
250303,C=C1C(C)CC2CCOC(C)C12[NH3+],0,GDB MedChem
293024,CCN(CC(F)(F)F)C(C)(CC)C1COCO1,0,GDB MedChem
287100,CC([NH3+])C1=C2C(=CC=CCC2[NH3+])C[NH2+]C1C,0,GDB MedChem
296681,OC1CC1(O)C1CCC1,1,GDB MedChem
220770,CCC1OCC2OCCC2=CC1[NH3+],0,GDB MedChem
359651,CC(=NO)C1C2=CC(O)C(=O)C2C1CO,0,GDB MedChem
73083,CC1=CCC(O)CC2(CCC2=O)NC(=[NH2+])N1,0,GDB MedChem
267546,CCCc1cc(C)c(OCC)c2c1CCCC2,1,GDB MedChem
29861,O=CNCCC1C=CC(=O)CO1,1,GDB MedChem
10334,CC(C)C[NH+]1CC2COCOC2(C)C(C)C1C,0,GDB MedChem
195131,[NH3+]C(C#CC1CC2=C(COC2)C1)C1CC1,0,GDB MedChem
226332,COC1C[NH2+]CC[NH2+]C(C)C1,0,GDB MedChem
99269,CC(C)C1(C(C)C2CCC(=O)N2)CC1,1,GDB MedChem
130755,C#CCc1ccc(C)oc1=NCC,0,GDB MedChem
351708,N#CC(N)C(O)CC1C[NH2+]C1,0,GDB MedChem
63767,CCC(CC)Cc1cc(CC2CC2)cs1,1,GDB MedChem
293242,C#Cc1nc2c(-c3ncccn3)csc2s1,1,GDB MedChem
83322,CCNC1=CC(=O)C2CC2C1,1,GDB MedChem
240715,C#CC1=CC2C([NH2+]C)C2(C(C)C)CC1,0,GDB MedChem
219074,CCC1([NH3+])CN(CCCCO)C1,0,GDB MedChem
60116,CC([NH3+])CC(C)(C)CC[NH+](C)C(C)CC(N)=O,0,GDB MedChem
233675,C#Cc1cc2c(c(N)c1C)CC[NH2+]C(C)(C)C2,0,GDB MedChem
224153,CC1(CC#CC[NH3+])[NH2+]CC1C([NH3+])CO,0,GDB MedChem
301343,CC(C(=O)C(C)(CCO)C(C)C)C1CCC[NH2+]1,0,GDB MedChem
234117,CCCc1ccc(C(C)C)cc1-c1cnc[nH]1,1,GDB MedChem
78988,CCOC(=O)c1ncc(C)nc1CC,1,GDB MedChem
53355,CC1=CCOC2(C=CCOC1)CNC2=O,0,GDB MedChem
313875,CC#CC1(CN)NC(N)=[NH+]CC1NC(C)C,0,GDB MedChem
47602,CCC(O)C1OCCC2CC1NC(C)(C)C2=O,0,GDB MedChem
136854,CC(C)CC1C[NH2+]CCCC2C(O)CCC12O,0,GDB MedChem
226646,CC1CC(C(NC=O)C(C)CO)C(C)(C)C[NH2+]1,0,GDB MedChem
37991,CCCNc1csnc1C(=O)NC,1,GDB MedChem
201628,CC(C[NH3+])(C[NH3+])c1oncc1C(=O)OCC#N,0,GDB MedChem
232907,C#CCC(c1cc(=O)ncs1)C(O)CC#N,0,GDB MedChem
332274,CC1CCCC2CC3OCC123,0,GDB MedChem
251602,CC1=CCC2=CCOC(C2)CC1=C1CCC1,0,GDB MedChem
292773,CCCNc1ccsc(=NC)[nH+]1,0,GDB MedChem
274991,CC1=CCC=CCCC#CCC(=O)NCC1,0,GDB MedChem
140492,CC[NH+](C)CCCNC(N)=O,0,GDB MedChem
325993,CC(C)C1(C)CC(=NO)C1C,1,GDB MedChem
87232,C=CS(=O)(=O)C1(C[NH2+]C)CCOCC1,0,GDB MedChem
311273,CCN(CC1COCO1)c1cnoc1,1,GDB MedChem
373297,CC#CC(C)CC(=O)C(=O)NC1CC1,1,GDB MedChem
330854,CC1CC(C[NH3+])C1(O)CO,0,GDB MedChem
8811,CC(O)CNc1occc1N1CCC1,1,GDB MedChem
59384,CCC1(C(C)(CO)C(C)C)CCC(C)CC1[NH3+],0,GDB MedChem
92978,Cc1c(CCO)c2n(c1OCC(C)C)CCC2,0,GDB MedChem
200051,C=C1CC=CC12C=CC(=O)NC2=C,0,GDB MedChem
346083,CC1OCC1=C1CCC2CCC(OC1)C2=NO,0,GDB MedChem
336564,COC(C)C1(CO)C=CN(C)C(=O)C1O,0,GDB MedChem
146336,CC#CC(NC=O)C(=O)c1cnsc1C,1,GDB MedChem
327669,C#CC(C(N)=O)N1CC(C([NH3+])CO)C1,0,GDB MedChem
388211,CN1CC([NH3+])C(CC#N)C1,0,GDB MedChem
81386,CCC1CC2OC(C(=O)[O-])CC12,0,GDB MedChem
366315,Cc1c[nH+]c(-c2conc2[O-])c(C)c1N,0,GDB MedChem
291231,CC1=CCOC1CCNc1cccn1C,1,GDB MedChem
331987,CC[NH+](C)C(C)COc1cnsn1,0,GDB MedChem
85774,CC1C(C[NH3+])=CCCC#CCC2C(CO)C12,0,GDB MedChem
44855,CC1COCC(C[NH3+])C1C#N,0,GDB MedChem
267248,CCC1CCC=C(C)C(C)C1[NH3+],0,GDB MedChem
226360,C#CC1=C2C=CCC2CC1[NH3+],0,GDB MedChem
110410,[NH3+]C12CC(=O)NC=C1C=CCC2O,0,GDB MedChem
109887,CCC1(C)C=CCO1,1,GDB MedChem
224857,CC1=C(C[NH3+])C(O)CC1O,0,GDB MedChem
83158,C#Cc1cc2c(s1)CC(CCn1cccc1)C2,1,GDB MedChem
286973,CCOC1CCCC=C1C(N)C#N,1,GDB MedChem
106337,COCC1=CCC=C(C)C2(C#CC1)COC2,0,GDB MedChem
347434,CC(C)C1=C2CN(CC#N)CCN2CC1=NO,0,GDB MedChem
373053,COCC1CCCC(c2csc(C)c2)C1(C)C,1,GDB MedChem
245078,O=C1CC(CO)CC1C1OCCCO1,1,GDB MedChem
364117,COCCC1C[NH+](CC(=O)CC(C)(C)C)C1,0,GDB MedChem
253982,C#CC(=O)C=CC1(O)CC1C(=O)[O-],0,GDB MedChem
215171,CCCC1C=CNS(=O)(=O)C(C2=CCCC2)=C1,0,GDB MedChem
128371,CN1CC2(N)C[NH2+]CC2=CC#CCNC1=[NH2+],0,GDB MedChem
89571,C=CC=C1C=CC=C2C[NH2+]C2(C)C1,0,GDB MedChem
268401,CCC1=CC=CC2CNC(=O)C2C#CC1[NH3+],0,GDB MedChem
142107,CC1=C2CCC2[NH2+]C(C)(C)C(C)=C1C,0,GDB MedChem
10503,C[NH2+]C1(C(C)C2OCCO2)CC=C(C#N)C1,0,GDB MedChem
396226,COC1C(=O)C(C2(CO)CC2)C1C,0,GDB MedChem
315395,CC1=CC(C)(C)[NH2+]CC(C(C)C)CC=C1,0,GDB MedChem
39143,CCC1(OC)CCC(O)C1,1,GDB MedChem
52598,C[NH2+]CC12CC1C(C[NH2+]C(C)C)C=C2C,0,GDB MedChem
82227,CCC1CCC(O)C(C)([NH2+]C)CN1C,0,GDB MedChem
150865,CC[NH2+]CCC(CS(=O)(=O)CC)C(C)(O)C#N,0,GDB MedChem
260454,CCCCC1C=C2C(=CCC2[NH3+])CC[NH2+]1,0,GDB MedChem
212700,C#CC1(CCC2C[NH2+]C2C)CC1,0,GDB MedChem
336510,CCC1=CCC2CCC1(C1CCC1C)O2,0,GDB MedChem
210933,CC1(C)CCCCC(C2CCOC2C[NH3+])CC1,0,GDB MedChem
13567,CC([NH3+])C1NCCC(O)C1O,0,GDB MedChem
63995,C#CC(OC)C1OC(C)CC1=O,0,GDB MedChem
380951,Cc1cccc2c1C(C(C)C)c1c[nH]cc1N2,0,GDB MedChem
335617,C#CS(=O)(=O)C1=CNC(=O)CCC2(CC2)OC1,0,GDB MedChem
267430,C[NH2+]Cc1coc(C)c1C[NH3+],0,GDB MedChem
226684,C#CCC1(O)CCCCCC=C1CCC,1,GDB MedChem
292046,C=CCn1nccc1N(C)CC#N,1,GDB MedChem
184610,C#CC1=CCCC(=C2C(C)[NH2+]C2(C)C)CC1,0,GDB MedChem
337588,CCC(C)CCC#CC(C)[NH3+],0,GDB MedChem
366971,CC1CC2OCC(=C3CCCC3)CC12,0,GDB MedChem
241908,N#Cc1nc(=N)cc(C2CC=CC2)o1,0,GDB MedChem
2480,[NH3+]CC(O)C1C=CC([NH3+])CC1,0,GDB MedChem
7643,C#CS(=O)(=O)C(CCOC)CC(=C)C,0,GDB MedChem
123898,N#CCC12C=CC[NH2+]CC1=CC(CC[NH3+])C2,0,GDB MedChem
286723,CCC1CCC2(N)CC2[NH2+]1,0,GDB MedChem
127569,[NH2+]=c1ccc(C[NH3+])c[nH]1,0,GDB MedChem
41545,[NH3+]CC1=CCOC1C12CC1OCC2O,0,GDB MedChem
297182,CC#CC1[NH2+]C2CC2(C=CC)C1O,0,GDB MedChem
228637,Nc1ccc(CCCO)o1,1,GDB MedChem
94050,COCC1CC(C(C)C)C(O)CC(C)(C)C1O,0,GDB MedChem
271933,CCCCCC12C=CC([NH2+]C)C1C2C,0,GDB MedChem
199313,C#Cc1c(C#N)occ2c(N)c(O)c(CC)c1-2,0,GDB MedChem
72810,CC1C=C(c2cnccn2)C=CC=CC1,0,GDB MedChem
169700,CCCC(CCC)C1COC(C)(C(C)CC)C1,0,GDB MedChem
35153,C#CC1(CC)CCOC2C(=O)C(CCO)CC21,0,GDB MedChem
186858,CN(C)C1(C(=NO)c2ccc[nH]2)CCC1=O,0,GDB MedChem
32341,CC12COC1CC(C#N)CCCC(=NO)C2,0,GDB MedChem
65529,CCC(C)OCCC1CC(=O)CC(=O)CC1C,0,GDB MedChem
395865,CC=CC1C=C(C)CC2=C1COC2,0,GDB MedChem
39138,C#CC1(C#N)CC(COC)C(C)CO1,0,GDB MedChem
171698,CCC1([NH3+])CN(C)C1=O,1,GDB MedChem
18445,N#CC1CC2(N1)C([NH3+])CC2[NH3+],0,GDB MedChem
59041,CC1C(CC=NO)C=CCC2(CCC2)C1C,0,GDB MedChem
285283,CC1=C2COC(C)CC2C2=CCOC21C,0,GDB MedChem
282105,CC1=CC2CC(C1)OC1CC1(CC#N)N2,0,GDB MedChem
51146,Cc1oncc(=N)c1CC(O)C1(C)CC1,0,GDB MedChem
278272,Cc1c(C2CCCC2)c(C)n(CCO)c1C,1,GDB MedChem
246109,C[NH2+]C1(C)C(C)C2CCC=CC(=O)C21,0,GDB MedChem
209203,C[NH2+]C1CC2=C(CCC2CO)CNC1=O,0,GDB MedChem
112696,CCOCC1COC2CC3CCC3=CCC12,0,GDB MedChem
281617,Cc1c(O)ncc(C[NH2+]CC(C)(C)C)c1N,0,GDB MedChem
164123,C#CC(C)C(C(=C)CO)=C1C[NH2+]C1,0,GDB MedChem
186846,CCC1C([NH2+]C)CC2([NH3+])CCCN(C(C)C)C12,0,GDB MedChem
373041,C#CC1=CC(O)C(O)C1(N)C[NH2+]CC,0,GDB MedChem
38242,C[NH2+]CC(C#N)C(=O)CCO,0,GDB MedChem
34509,COCC(C)C1[NH2+]CC[NH2+]CC(N(C)C)C1C,0,GDB MedChem
377368,N#CC1CC(O)CO1,1,GDB MedChem
57641,CC(C)(O)C1=CCC(=O)CC=C1C#N,0,GDB MedChem
347734,CNc1nc(C(N)=[NH+]C)c2cc(C)cnc2n1,0,GDB MedChem
78449,CC[NH2+]CC1CCOCOC1,0,GDB MedChem
365254,[NH3+]C1C2CC=CC(CO)COC12,0,GDB MedChem
292392,CC1C=CC#CCCCOC2C1CC2(C)O,1,GDB MedChem
302159,C#CC1C(C)Cc2ncccc2C(O)C1(C)[NH3+],0,GDB MedChem
37904,C#CC(C)(C)C1(CCC)C[NH2+]C1,0,GDB MedChem
90810,OCC1CC2CC=CCCC3CC=C1C32,0,GDB MedChem
219255,C#CC1(C)CC2COCC[NH+]21,0,GDB MedChem
43426,Cc1nc(C2=CCOCC2CO)no1,0,GDB MedChem
26469,CC(C)C1OC(C)(C(=O)CO)OCC1C,1,GDB MedChem
364689,CCCc1[nH+]cc(C2CC=CCC2)n1C,0,GDB MedChem
201740,CNC1C2C(O)COC2CCCS1(=O)=O,0,GDB MedChem
140482,CC#CC([NH3+])C1(C)CC=CCC1O,0,GDB MedChem
196678,CCC12CC(CC=C1CCO)CC2C,0,GDB MedChem
290342,CC1C=C2C=CC([NH3+])C2C([NH3+])C1,0,GDB MedChem
257002,CC1C#CCOCC(c2cncs2)C=C1,0,GDB MedChem
251654,CN1CC(C2(C)CCC[NH2+]C2)NC1=[NH2+],0,GDB MedChem
133568,N#CC(=O)CC1CCC(O)C1,1,GDB MedChem
343814,C=C(C=CCO)n1cnc(O)c1O,0,GDB MedChem
283056,C[NH2+]C1C2OC(=O)C(C)OC12CC#N,0,GDB MedChem
114006,C#CC1CC([NH3+])C1(N)CCNC(N)=[NH2+],0,GDB MedChem
389212,C#CC1C([NH3+])C2C(C)CCN12,0,GDB MedChem
334931,CC1CC(C)C1CCC1C=CCC1=O,1,GDB MedChem
14453,CCCc1ccc2cocc2n1,1,GDB MedChem
121608,COCC#Cc1cc(CC(C)C)n(C)n1,1,GDB MedChem
251564,CCOC(C)(C)C1C2CCOC21,0,GDB MedChem
336824,C#CC1(C2CC=CC2C#N)CC1,0,GDB MedChem
105198,C=CC(C#CC(=C)CO)CC(C)C,0,GDB MedChem
377390,C#CC12C3=CCCCC1C([NH3+])CC2C3,0,GDB MedChem
35186,CCC([NH3+])CC1CCCC2CC12,0,GDB MedChem
209228,CCOC(=O)CCCC(=O)CC1(O)CC1,1,GDB MedChem
267426,C[NH2+]C1CC(N)(C[NH3+])CC(COCC#N)C1O,0,GDB MedChem
18166,C#CC1=CC2C[NH2+]C1(C(=O)CNC=O)C2,0,GDB MedChem
71823,C#CC(C#N)C1OCC(O)C1C,0,GDB MedChem
133059,C#CCc1oc(=[NH2+])c(N(C)C)c(C(C)C)c1C,0,GDB MedChem
102586,C#CCOCCC1(C)CCC1,1,GDB MedChem
144242,CC1=CC=CCOC2(CC1)CC2,1,GDB MedChem
240329,CC1=CC(=NO)CC#CC(CO)C(O)C=C1,0,GDB MedChem
203055,CN1C=C(CO)CNC1=[NH2+],0,GDB MedChem
184453,CC1OC2CC1(C)CC(CN1CC[NH2+]CC1)O2,0,GDB MedChem
35862,CC1=CC=CCOC2(C)C(C)CCC2OC1,0,GDB MedChem
83343,CC1OCC2C([NH3+])CN2C1C,0,GDB MedChem
124672,CCOC(C1CCC1)C1(C)[NH2+]CC1C,0,GDB MedChem
36623,CC([NH3+])C1CCC1C(O)C[NH3+],0,GDB MedChem
54872,C[NH2+]CCNCC#CC[NH+](C)C1CC1,0,GDB MedChem
105814,CC1=CC2CC2CC(COCCO)=C1C,0,GDB MedChem
32236,C[NH2+]C(C(=O)[O-])c1c[nH]c(=[NH2+])cc1OC,0,GDB MedChem
291229,C#CC1=CCC(=O)C(C)=CCC1,0,GDB MedChem
382379,CC1CC2CCCC1C2(C)O,1,GDB MedChem
114226,C=C1C2=C(CC(O)C1O)C(C)[NH2+]C2,0,GDB MedChem
174475,O=C1CC(C#CCO)CC=CCCN1,0,GDB MedChem
395263,CNC(=O)C1(C)CC=C(C)C1,1,GDB MedChem
354881,CC1(C)CCC(c2c(CCC#N)nsc2[O-])C1,0,GDB MedChem
71839,CCC(C)([NH3+])C12CC1[NH2+]C2C,0,GDB MedChem
90725,C#CCCC1C(C)CCC([NH+](C)CC)C1CC,0,GDB MedChem
117273,CC(C)(CC[NH3+])C1C[NH2+]C1CO,0,GDB MedChem
370886,CC(C)[NH2+]CC1=C(C#N)C(=O)CC1,0,GDB MedChem
177973,C#CC1CC12CC1C=C(COC)CC2C1,0,GDB MedChem
89816,CC1c2c(O)cc(CC[NH3+])cc2CC1[NH3+],0,GDB MedChem
190597,CC(O)C1NC(CO)C(C)[NH2+]CC12CC2,0,GDB MedChem
198389,CCC1(CS(C)(=O)=O)CCCn2cccc21,0,GDB MedChem
329132,CCC(C)(C)c1cocnc1=N,0,GDB MedChem
336854,CCC1=CCC(C#N)CCC#CCC1,0,GDB MedChem
25677,CC([NH3+])C1(C)C(=O)OCC1C1CC(=O)O1,0,GDB MedChem
238496,CC1CCCC=C(C[NH3+])C2CC2CC(C)[NH2+]1,0,GDB MedChem
251111,N#CCc1cc2ncccc2cn1,1,GDB MedChem
227723,CC#CCCC1C=C2C(C)OCC23CC13,0,GDB MedChem
372054,CC1[NH2+]CC1(C)c1ccco1,0,GDB MedChem
103607,CCOCC(C)C[NH2+]C1CC1C#N,0,GDB MedChem
192832,CC1C[NH2+]CC=C2CC[NH+](C2)C1,0,GDB MedChem
142122,CC1CC=CCC2CS(=O)(=O)N(C1C)C2C,0,GDB MedChem
127562,C[NH+]1CC2(CCC3=C2C=CCCC3)C1,0,GDB MedChem
227216,C#CC12CC1C=C(C[NH3+])C2C,0,GDB MedChem
182822,Cn1ncc(C#CC[NH3+])n1,0,GDB MedChem
380136,Cc1nc2c(CO)c(NC=O)ccc2n1C=O,1,GDB MedChem
312911,C#CC(C=CCC)(OC)C(=O)NC,1,GDB MedChem
235440,C=C1CC(C(NC=O)=C(C)C)C1[NH3+],0,GDB MedChem
35873,CC(C)C1C(O)C=CCC(C)(C)C1C1CC1,0,GDB MedChem
368364,CC1CCC(C(N)=O)=C1N,1,GDB MedChem
375638,C[NH2+]C1CC2COCCC1=CCCCC2=O,0,GDB MedChem
92207,CC(C)=C1C[NH+]2C(C)CCC12CO,0,GDB MedChem
24323,CC1C=C(NC(N)=O)C([NH3+])C1(C)O,0,GDB MedChem
267269,CC(C)([NH3+])c1coc(COC2CC2(C)C)n1,0,GDB MedChem
228250,CCN(CC)C1(CC(C)(C)C)CC1[NH2+]C,0,GDB MedChem
271705,C1CCC2=C(C1)CCOCC2,1,GDB MedChem
177944,CC1C2[NH2+]CCN1C(C#N)C2O,0,GDB MedChem
86974,Nc1cc(N2CCCC2)c(CCC2CC2)[nH]1,1,GDB MedChem
32299,CCC1NC2C=CC(C)C2C=CC1=O,0,GDB MedChem
219996,C[NH+](CCCOCC(C)(C)C[NH3+])C1CC1,0,GDB MedChem
273736,Cc1c(CC(C)C)cc2c(c1C#N)CC(C)C2,1,GDB MedChem
129631,CC[NH+]1CC2=CC#CCCCC(C2)C1,0,GDB MedChem
235771,C#CC(C)=CC1[NH2+]C2(C)CC=CC12,0,GDB MedChem
290021,COC1C2=CCC3C2=C(CC3C)C1C,0,GDB MedChem
285632,COC1(CC2CC=CC2)CC=CC1,1,GDB MedChem
373584,CC1COC(C[NH3+])C2(C[NH3+])C(=O)N(C)C12,0,GDB MedChem
94094,CCOCC1[NH2+]CCC2C=CC1C2,0,GDB MedChem
163721,CC1C=CC2NCC(=O)C(C)C2[NH2+]C1,0,GDB MedChem
341467,CCCOC(C)C(C)(C)[NH+](CC)CC(C)C,0,GDB MedChem
153478,CC#CC1COCCC1(CO)C1=CC[NH2+]C1,0,GDB MedChem
65110,CC1CC(CO)(C(N)=O)O1,0,GDB MedChem
128203,COC(C)CC1CC2CC=CC1O2,0,GDB MedChem
396003,CC1=C(C(C)O)C#CC2(CC2)OCC=C1,0,GDB MedChem
5149,O=C1CNC2=[NH+]C1CC#CC=CCN2,0,GDB MedChem
268919,OC1C2OCC[NH2+]CCC12O,0,GDB MedChem
185827,CC1CC2C=C(NC(N)=[NH2+])C(O)CCC[NH+]12,0,GDB MedChem
297711,CC1=C(CC(C)(C)C(C)C)C(C=NO)[NH2+]C1,0,GDB MedChem
134134,C#CC1=C(C#N)C2C(C)C2C(C)C(C)=C1,0,GDB MedChem
314828,C#CC1CC(C(C)CC)C1CCO,0,GDB MedChem
102505,CCC(C(=O)C(N)=O)C(CO)[NH2+]CCCOC,0,GDB MedChem
216847,CC1=C2C=CC3C(C)CC(=CC=C1)C23,0,GDB MedChem
186196,CC1C2CCOC1(C)CC2C(=O)[O-],0,GDB MedChem
192628,CCCNC(=O)OCC1CCNC(=[NH2+])N1,0,GDB MedChem
123304,CCCC(C)(C[NH3+])[NH2+]C,0,GDB MedChem
124942,C#CC12COC(C)OC(=O)C1C=CC2=NO,0,GDB MedChem
95146,C#Cc1c2ccnc-2ccn1C,1,GDB MedChem
58213,CC(C)C1C2C[NH2+]C1(CN)CCCN2C(N)=[NH2+],0,GDB MedChem
266957,CCc1noc(-n2c(C)cc(C)c2C)c1CC,0,GDB MedChem
182767,N#CCC1=CC2(C=CCCO2)CC1,1,GDB MedChem
139344,CC1C[NH+](C)C1C1=CC2CC=CC2CCC1,0,GDB MedChem
49220,COCc1scnc1CC(C)c1nccn1C,1,GDB MedChem
210030,C#CC1CCC(C)(C)C(C2CCCOC2)C1C,0,GDB MedChem
121917,C[NH+](C)C1CC(O)C1(C)C(=O)[O-],0,GDB MedChem
267434,CC1(O)C2CNC(=O)OCCC1C(=NO)C2,0,GDB MedChem
132940,CC(C)CCC1CCC(C)CC(O)C1O,0,GDB MedChem
175615,CCC1CC1C1C[NH2+]C1C,0,GDB MedChem
14041,CN1CC(C#CCO)=CC2(CC[NH2+]2)C1,0,GDB MedChem
206588,COC1C(O)C12CC(=NO)CC2O,0,GDB MedChem
210877,CC(CC#N)C1(C)C(N)C[NH2+]CC1O,0,GDB MedChem
373578,CCC(=O)C1=CCC2CC2C1C,1,GDB MedChem
269938,CC(C)CCC1=CC2C(O)C2C(C)(CO)C1,0,GDB MedChem
232806,[NH3+]C12CCC1C=C1CCC12,0,GDB MedChem
358003,COC(=O)N1CC(=O)C(C)(OCC(C)C)C1C,0,GDB MedChem
380108,C#CC(CC#N)COC(C[NH3+])C[NH3+],0,GDB MedChem
366349,CC(C)C12CC(O)CN1C(=O)C(C#N)OC2C,0,GDB MedChem
183673,CCC[NH+](CC)C1(C#CC2=CCCC2)CC1,0,GDB MedChem
131834,C#CC(C)(C(C)CC[NH3+])C1(C)C=CCC1,0,GDB MedChem
339883,[NH3+]CC1C=C2C(C([NH3+])C[NH3+])C=C3CCC32O1,0,GDB MedChem
73917,CC1=CCC2=CC(=O)C(OCCO)C12,0,GDB MedChem
327393,C#CC(c1cn(C)cn1)c1ccc(C)s1,0,GDB MedChem
231963,C#CC(=O)c1ccc2cn(C)nc([O-])c1-2,0,GDB MedChem
396848,c1cc(Cc2ccoc2)co1,1,GDB MedChem
99317,CC([NH+](C)C)C1(CC#N)OCC1N(C)C,0,GDB MedChem
311222,CC(O)C1CCCC(CO)C1[NH3+],0,GDB MedChem
359905,NC(=O)CC(O)(C[NH3+])C1OC2CCOC21,0,GDB MedChem
118759,CC(C)(C)CC1CCOC12CC2,1,GDB MedChem
250691,CCNC(=O)OC(C)CO,1,GDB MedChem
177948,Cc1ccc2coc(C)c2c1Cl,1,GDB MedChem
10250,C#CC1N(CC(C)C)C(C#N)CC12CC2,0,GDB MedChem
101761,C#CC1C=CC=CC(C2CCC[NH2+]2)C1C,0,GDB MedChem
62687,Oc1cc2c([nH]1)CC1C[NH2+]CCC1CCCC2,0,GDB MedChem
158526,C#CC(OC)C(CO)C[NH2+]C(C(C)C)C(C)C,0,GDB MedChem
53363,C=CCC1=CC=CC(=CC[NH2+]C)C1,0,GDB MedChem
61597,CC1C=CC#CC2(CC2)CC(O)CC1,0,GDB MedChem
368358,C[NH+](C)C1(CCc2nccs2)CCC1,0,GDB MedChem
300585,NC(=[NH2+])N1C2=CCCC2CC1C1([NH3+])CC1,0,GDB MedChem
16940,Cc1cc(=O)[nH]cc1-c1oc(=O)cc(N)c1O,0,GDB MedChem
283560,CCC(C)(CC)C([NH3+])C1=CCC([NH3+])C1,0,GDB MedChem
125180,N#CC(N)C12CC(CO1)C(O)CO2,0,GDB MedChem
42372,N#CC(O)(C=CC#CCO)CCO,0,GDB MedChem
14445,CC(O)c1cc(O)cc(C[NH2+]C2CC2)n1,0,GDB MedChem
239806,C#CC(Cc1ccc(C)c(C(C)C)c1)C(C)=O,1,GDB MedChem
170768,C=CC=CC1C(OC)OC2(C)CC12,0,GDB MedChem
91445,C#CCC1=C2CCC[NH2+]CCC(CC1)C2C,0,GDB MedChem
152441,CC(C)(C)C(OC(N)=O)C(=O)CO,1,GDB MedChem
88985,CCC1OC2COC(C[NH+](C)CC=NO)C12,0,GDB MedChem
82836,CCC1=CCCCC1CC#N,1,GDB MedChem
50697,CCc1c(C#N)sc(=O)n1CC(C[NH3+])C[NH3+],0,GDB MedChem
29324,CCC1C(C)C[NH+]1CC(CO)CC#N,0,GDB MedChem
169940,C#CC1CC1(CCCNC=O)[NH+]1CCCC1,0,GDB MedChem
208688,CC1(C=NO)[NH2+]CCC=CN(C=O)CC1O,0,GDB MedChem
138480,CCC(=O)NCc1c(N)ccn1C,1,GDB MedChem
29860,Cc1cc2c3c(c1N)N(C)CCCC3CN2C,0,GDB MedChem
62738,C[NH2+]C1CC1C([NH2+]C)C1CC1,0,GDB MedChem
366993,C#CC(O)C1(C)C=CCC1CCC[NH3+],0,GDB MedChem
390341,CCC1OC2C(C)OC2(C(N)=O)CC1=O,0,GDB MedChem
105815,C=Cc1ccsc(=NCC(C)O)n1,0,GDB MedChem
375214,[NH3+]CC1CCC2CC=C(COC1=O)C2,0,GDB MedChem
49848,C1=C2c3cccn3CCCOCC2CCC1,1,GDB MedChem
364150,CC(C)[NH2+]CCN(C)CCC1CC1C,1,GDB MedChem
264531,C#CC1OC2(CC)C(=O)NC=CC(C)=C12,0,GDB MedChem
157259,CC#CC1COC2(CC)COC12,0,GDB MedChem
324392,CC(C)C1=CCC(C(C)C)C1=C1C[NH2+]C1,0,GDB MedChem
306489,CC(=O)C1(Cc2cc[nH]c2C)C=CCC[NH2+]1,0,GDB MedChem
57036,CC1=C(C)C2C(C1)CC(C)(C)[NH+]1C(C)CC21,0,GDB MedChem
325986,CCCC(=C(C)C#N)C1C=CCC1,1,GDB MedChem
393469,CC1=CC(CC2CCC2)[NH+](C)C1C(C)C,0,GDB MedChem
296700,CCOc1ncncc1CC,1,GDB MedChem
335290,CC(=O)N1CCCC(C(C)[NH3+])C1CC#N,0,GDB MedChem
211410,CCC(=NO)C1CC2(CC2)CC1O,1,GDB MedChem
129106,CCCC(C)(C)C1(C(CC)CC)CC1,1,GDB MedChem
211977,CCCOc1c(C)ncc2c1CCCC2(C)C,1,GDB MedChem
332258,CC1(C)CC(C#N)N(C=O)C(N)=N1,0,GDB MedChem
365929,C=CC12OCCOC1C2CS(C)(=O)=O,0,GDB MedChem
357907,C#CCCC(OCC)C1OCC(=NO)C1C,0,GDB MedChem
29846,C#CCC1(OCC)CC(C)C([NH2+]C)C1CCC,0,GDB MedChem
267798,CNC(=O)CC1=C(C)CCC(C)=CC1(C)C,0,GDB MedChem
370497,CCC1[NH2+]C2C(C)=CC1C2C,0,GDB MedChem
30523,CC1=CC=CC2(CO)CC(C)C1C2,0,GDB MedChem
286620,CCCC1C(C)C1(O)C#N,1,GDB MedChem
266781,CC12OCC([NH3+])CC1C(O)CO2,0,GDB MedChem
397595,CC1C(CC[NH3+])C([NH3+])CC1(C)O,0,GDB MedChem
165441,C#CC1(C=CC2=CCC=C2)CC1[NH3+],0,GDB MedChem
357839,CCC1(Cc2c(C)oc(O)c2C)CC1,1,GDB MedChem
371863,CNC(=O)C1C2COC(OC)C2N1C,0,GDB MedChem
211345,Cc1oc(C[NH3+])nc1-n1cc(CCC[NH3+])cn1,0,GDB MedChem
14794,CC1C=CNC(=O)C(C(C)C)=C1,1,GDB MedChem
53621,CC(C)C1CCC([NH3+])C12CC2C#N,0,GDB MedChem
191820,C[NH2+]C1C=C(C)C(=O)OCC1(C)C(C)(C)O,0,GDB MedChem
50784,CCN1CC2[NH2+]CC=C(CCO)C1C2N,0,GDB MedChem
394625,CCc1ncc(CC#CCC(C)O)nn1,0,GDB MedChem
348123,CCn1c(N)cc(CC(C#N)NC)c1N,1,GDB MedChem
390255,COCC([NH3+])CC#CCC#N,0,GDB MedChem
46583,NC(=O)C1=CCCC=C2C1OC1C(O)C21,0,GDB MedChem
275821,CC(=O)C#CCCC1[NH2+]CC2CC=CC21,0,GDB MedChem
230895,CN(C=O)C1=C2C(CC[NH3+])CC2([NH3+])CC1,0,GDB MedChem
178409,CC(=O)C1(CC(C)C)C[NH2+]C(CO)C=C1C,0,GDB MedChem
359551,COC1C(C)C(=C(C)C)C1CC[NH3+],0,GDB MedChem
330663,C1=CC=C2CNC(=[NH+]CC=C1)N2,0,GDB MedChem
51120,CC1CC2C=CC[NH2+]CC=C12,0,GDB MedChem
332271,CNC(=O)C(C)C(C)(N)C1CC[NH2+]1,0,GDB MedChem
353448,C#CC(CC)CC(C)(C)C1CCCC[NH2+]CC1,0,GDB MedChem
130513,CC1CC2(CC(=O)C2C)C1O,1,GDB MedChem
135591,C#CCC(Nc1ncn(C)n1)C(C)[NH3+],0,GDB MedChem
155854,C=C1C(C=CCC[NH3+])=CC=C1C[NH3+],0,GDB MedChem
243267,Cc1coc(CC2(C(C)C)CC(C)CO2)n1,1,GDB MedChem
244205,CCOc1[nH]cnc1CC1CCC1=NO,0,GDB MedChem
93607,C#CC1=CCC2CC1([NH2+]C)CC2CC,0,GDB MedChem
156429,CCC1(CC)CC(=O)C1C1C=C(C)C[NH+]1C,0,GDB MedChem
37795,C#CC(C)([NH3+])C(C)(C)OC(C)C[NH3+],0,GDB MedChem
50173,O=C1CC2C(O)CC2C(=NO)C1O,1,GDB MedChem
327016,C#CC1=CCC2C(C)OC1C2C,0,GDB MedChem
358783,N#CC1CC2[NH2+]CC=C2CN1,0,GDB MedChem
326515,CC1(C)c2ccc(O)cc2C2C(=O)OCCN21,0,GDB MedChem
68958,CC1=CC#CCCC=CCOC(C(C)C)C1,1,GDB MedChem
280257,CCCC(C)C(CCC)C(O)c1scnc1C,1,GDB MedChem
10942,CC(=O)C1(OC(C)CO)CC1,1,GDB MedChem
309729,CCC1C=CC(=O)C=C2C=CC1C2,0,GDB MedChem
219218,C[NH2+]CCC1CC(OC)(C([NH3+])C(=O)[O-])C1,0,GDB MedChem
35369,CC([NH3+])(CCOC(N)=O)C1CC1,1,GDB MedChem
362489,CCC(C)(C)c1nc2c(o1)CCC([NH2+]C)CC2,0,GDB MedChem
383572,CC(O)C1(C)OC2C(O1)C2C1CC1,0,GDB MedChem
384336,C#CC(C(=O)[O-])C1CCOC1,0,GDB MedChem
396274,CC1COCOC2CC1C(=O)C2=O,0,GDB MedChem
389222,C#CCC1CC2CC12COC,0,GDB MedChem
347165,C#CC(N)C(C#N)(CCC(C)C)C(C)C(C)C,0,GDB MedChem
326971,CC([NH3+])C(O)C(C)C1CNC(=O)N1,0,GDB MedChem
331313,Cc1cc(NC=O)ccc1F,1,GDB MedChem
342784,COC1CC2=CC1(C)CC(=O)OC(C)C2O,0,GDB MedChem
164799,C=CCC1(C(CO)=C(C)C#N)CC1,1,GDB MedChem
367688,OCC1CC2(C=CCC=CC2)C1,0,GDB MedChem
191780,O=C1C=CC2(C3CC3)CCC(C2)OC1=O,1,GDB MedChem
14837,C#CCCC(=O)C(C)(C1CCCC1)C(C)(C)C,1,GDB MedChem
285456,C#CCC1C(O)C1C1CCOC1,0,GDB MedChem
288766,COC1(CNC=O)C2C=CC1CC2,1,GDB MedChem
260492,CCOC1C2C=CC3=CCCC321,0,GDB MedChem
227176,CCC(=CC(C)=O)NC1CC=CC1,1,GDB MedChem
294846,C#Cc1ccc(Cl)c(N(C)CC)c1C,1,GDB MedChem
43867,CCCc1nscc1C[NH+](C)C,0,GDB MedChem
113997,C[NH2+]C1C=C(CO)CC1=NO,0,GDB MedChem
37945,CCN1CC=CC=C2C[NH2+]CC21,0,GDB MedChem
123936,C#CC(CC[NH3+])C(CCC)(OCCO)C(C)C,0,GDB MedChem
36688,CCC1OC(=O)CC1(C(C)C)C(C)(C)COC,0,GDB MedChem
256526,C[NH2+]C1C2C(=C(C)C1(C)C)CC2C,0,GDB MedChem
281561,C=C1CC=C2C=CCC2(C#N)C1=C,0,GDB MedChem
285423,CC1CC(CC2C[NH+](C)C2)C[NH2+]1,0,GDB MedChem
248989,C#CC1=CC=CC=C(C)C12C1C[NH2+]CC12,0,GDB MedChem
353642,CCC1(CC)Cc2c(C)ccc(C)c2N1,1,GDB MedChem
92477,CN1C(=O)NC2C=CC(O)CC1C2[NH3+],0,GDB MedChem
81803,CCCCC(C)c1c[nH]nc1CC,1,GDB MedChem
281330,C[NH2+]CC(C)(O)C1C(C)=CC2CC21C[NH2+]C,0,GDB MedChem
257073,CCC(C(C)OC)C(C)(C)CC(OC)C(C)C,0,GDB MedChem
57020,O=C1COC2CC2N2C(CO)C(=O)C12,0,GDB MedChem
149503,[NH3+]CC12C=CC(C=C1)N2,0,GDB MedChem
76871,CC#Cc1c(OC)c(CC)nn1C,1,GDB MedChem
32272,CNC1C(=O)OCC[NH2+]C2C(O)C12,0,GDB MedChem
285418,C#CCC(O)C1=CC=CC(CO)[NH2+]C1,0,GDB MedChem
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171193,CC1OC2COCC1C2C,0,GDB MedChem
239924,CC1C=C2CC(C)(O)C(C)C2C1,1,GDB MedChem
116166,CCCCCC1(C#CCO)C[NH2+]C1,0,GDB MedChem
83359,CC1COCOC2C=CC(N1)C2[NH3+],0,GDB MedChem
327003,CCC1C=C(C)CC2(CC1)CC2,1,GDB MedChem
351000,CCC1CCCC1c1ccc2c(O)c[nH]cc1-2,0,GDB MedChem
306714,CC1=CC=CCC=C(S(=O)(=O)[O-])C1O,0,GDB MedChem
150853,C#CC(CC(CC)CC1(C)COC1)OC,0,GDB MedChem
177926,CCCC1([NH3+])CCOC1C(C)CCCOCC,0,GDB MedChem
350588,CCN=c1onccc1C1CC([NH3+])(CO)CO1,0,GDB MedChem
226813,CC1C2C=CC([NH3+])CC(=CCCC1(C)C)C2,0,GDB MedChem
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321138,N#CC(C1=CC(=O)NC=CC1CO)C1CC1,0,GDB MedChem
20987,CCc1cc(C)[nH]c1CC(C(C)C)C(C)(C)C,1,GDB MedChem
144176,C[NH2+]C1C2=C(C)CC3CCC1C23,0,GDB MedChem
1151,CC(O)CC(C)C=C1C=CNS1(=O)=O,0,GDB MedChem
370955,CCC(C)(OC)c1cc[nH]c2c(C)c(C)cc1-2,0,GDB MedChem
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143542,CC1=CCCC1C(C)(C)C(O)C(C)O,0,GDB MedChem
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119495,C=C1CC2=C(CC3(C=C2)CC3)C1=C,0,GDB MedChem
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357279,C[NH2+]C(C)(C)C(C)C(C)(C)O,0,GDB MedChem
360077,CC1=CC2(OC(=O)C1)C(=O)OC2C,0,GDB MedChem
271674,C#CC(=O)C1CC(CCCC(C)(C)C)CC[NH2+]1,0,GDB MedChem
331106,[NH3+]CC1=C(C23C=CCCC(C=C2)[NH2+]3)CCC1,0,GDB MedChem
252764,COC(C)C1OC(C)C1=O,1,GDB MedChem
245561,CC(C)CC1(O)CC(O)CC(O)C1C(C)C,0,GDB MedChem
280238,CCCC([NH2+]CC(C)CC(C)C)C(CC)CC,0,GDB MedChem
128521,C#CC1=CC(OC2CC2)C2CC1CC2CC,0,GDB MedChem
384356,C#CC(CC)CC1(C)C(C[NH3+])CCC1CCC,0,GDB MedChem
182734,CCOCC1=C(C)C(C(C)C)OC1=O,1,GDB MedChem
359507,CC1(CC2CC(CCCO)C2)C[NH2+]C1,0,GDB MedChem
326991,CCC1(C[NH+]=c2nc[nH+]c[n-]2)CC1O,0,GDB MedChem
41921,C#CC1(NCCOC)CNC(C)CC1=O,0,GDB MedChem
292639,CCC1CCC=CC[NH+]1C,0,GDB MedChem
15429,N#CC(N)CC#CCC(=O)NC=O,1,GDB MedChem
73602,CC(C#N)C1(O)CC(=O)C1O,0,GDB MedChem
202355,CC1(C)NC(C#N)C1NC=O,0,GDB MedChem
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21661,CCCNc1c(CC(C)O)cc(F)c(C)c1N,1,GDB MedChem
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5623,COC1(C2CC(S(C)(=O)=O)N2C)CC1O,0,GDB MedChem
124489,CCC#CCC(CCC)C1CC1,1,GDB MedChem
13430,CC1=CC2(CC=CCC2)CC=CCC1C,0,GDB MedChem
376599,CC(CO)C1CC=CC2CC2([NH3+])C1,0,GDB MedChem
349357,CC(C)CC1[NH2+]CCC(C)C1C,0,GDB MedChem
331316,CC1C=CC2=CC[NH+](C2)C2(CC2)C(C)N1C,0,GDB MedChem
280228,CC1=CC2(C)CC=CNC(=[NH+]CC1)N2,0,GDB MedChem
155875,C#CCC(C)C1=C2COC2CC1,0,GDB MedChem
212697,CNC(=[NH+]CCCOC)c1ccoc1,0,GDB MedChem
395227,N#CC1C#CC=CC(CO)CC=C1CO,0,GDB MedChem
175441,CC#CC(CC)CCCNc1nnon1,0,GDB MedChem
84094,C#CC1Cc2c(C)ccc(O)c2CC1(N)C[NH3+],0,GDB MedChem
300995,CCCC1C[NH2+]CCC1(O)C[NH3+],0,GDB MedChem
318871,CC#Cc1cc(CC)ccc1C(O)CC,1,GDB MedChem
15078,CC1(O)CC1OCCC1CC1,1,GDB MedChem
256201,C=CC(C)CC(=CCC)NC(N)=[NH2+],0,GDB MedChem
46608,CC(O)C1(C#N)C(O)C(CO)C1O,0,GDB MedChem
110142,CC1=C2CCC[NH2+]CCC1CC2,0,GDB MedChem
253049,CC(=O)Nc1ccc2cc3c(C)c(=O)cc-3c1-2,0,GDB MedChem
2017,CC[NH2+]C1C(=NO)CC1(O)C(C)O,0,GDB MedChem
66512,C=CC12CC(C)[NH2+]C1CN(C)C2=O,0,GDB MedChem
68525,COCCC(C)([NH3+])c1nscc1COCCO,0,GDB MedChem
56872,CC1(C)OCOC1C(C)(C)S(C)(=O)=O,1,GDB MedChem
211567,CC1CCC(C)C1CCCC1(C)CCCC1O,0,GDB MedChem
31488,CC1C(C(O)CO)[NH2+]C12CC2,0,GDB MedChem
301773,Cc1cc2c3c(n1)C=CC3(C#N)CC=C2,0,GDB MedChem
319097,CC1=CC[NH2+]C(C(=O)[O-])C1,1,GDB MedChem
381299,C=C1C([NH3+])C2C[NH2+]C(C#CCO)C12,0,GDB MedChem
237587,N#CC1CNCCC(=O)OC1,1,GDB MedChem
373577,CC1(C#N)OC(CO)CCC1[NH3+],0,GDB MedChem
384679,CCOCCC1CCC=C1C,1,GDB MedChem
41193,CC(=O)C(=O)C1[NH2+]CC1CCN(C)C=O,0,GDB MedChem
297339,[NH3+]CC1=CC(O)CCC2COC2C1,0,GDB MedChem
339634,CCC(CC#N)C(=O)CC(N)=O,1,GDB MedChem
149217,CC1=CC(=O)CC(C2(C)CC2)=CC(C)=C1C,0,GDB MedChem
319526,CC1CC2[NH2+]CC3C=CCC3=CC12O,0,GDB MedChem
358736,CCCC1=C(C#N)C(C)CC=CC=C1,0,GDB MedChem
17220,CC(OCC#CCCC1CC1)c1ccsc1,1,GDB MedChem
51754,CCCN1CC2NC1=[NH+]CCOC2C,0,GDB MedChem
393435,C#CC1CC12CCOCC(C)=C2C,0,GDB MedChem
309911,CC(C)C1C=CC2(C)[NH2+]C(C)C12,0,GDB MedChem
86252,CC1CC(=O)C(C)(O)C1=NO,1,GDB MedChem
227671,CC1=CC#CC[NH+](C)C(C)(C)C=C1C,0,GDB MedChem
107574,N#Cc1c(C[NH3+])ccsc1=O,0,GDB MedChem
51132,C#CCNC1CN(C=O)C(C#N)C1N,0,GDB MedChem
125356,C#CC1C(C#N)C12NCCC2[NH3+],0,GDB MedChem
98181,Cc1scc2c1CC=C1C=CC=CCC1C2,0,GDB MedChem
213821,CCC12CCOCCC(CC1O)C(O)C[NH2+]C2,0,GDB MedChem
109869,CC(CC12CC1C=CCO2)C(=O)[O-],0,GDB MedChem
319559,C#CC1=C2C[NH2+]C2C(C)OC1C(C)CCC,0,GDB MedChem
178079,CC1(C)C(=O)CCC=C1CC#N,0,GDB MedChem
84678,CCC1(C(C)(C)C(=O)C(C)C)C=CCCC1,0,GDB MedChem
97353,N#Cc1ccc(O)c(=O)s1,0,GDB MedChem
214956,CC(C)[NH2+]C1(C)CCCNc2ncsc2OC1,0,GDB MedChem
110149,C#CC(C[NH2+]C(CCCCO)C1CC1)NC,0,GDB MedChem
169685,C=CCC(O)(C=C)C(C)C(=O)C#N,1,GDB MedChem
389311,CC1C2C=CC=CC(=O)C12,1,GDB MedChem
21666,OC1C2COC1CCC#CC[NH2+]2,0,GDB MedChem
396244,C1=CN2CC(=C3CCC3)CC[NH+]=C2N1,0,GDB MedChem
117741,CC1OCC2([NH3+])CCOC(=O)C12,0,GDB MedChem
196403,Cc1sc(=N)sc1C(=O)NCC(C)C,0,GDB MedChem
55813,CC(O)C1=C(C#N)CC2(CC2)C1,0,GDB MedChem
228109,C#CC(O)CCC(C)c1c[nH]c(=[NH2+])c(OC)c1,0,GDB MedChem
140231,CC1C=CC(C)(C)[NH+]=C(N)N1,0,GDB MedChem
139218,CCC([NH3+])C1NC(=O)C(C)=C1C(N)=O,0,GDB MedChem
227173,CCC1=CCc2cc(co2)CC(O)CC1,1,GDB MedChem
39550,O=S1(=O)CC=CC2=CCC(O)C21,0,GDB MedChem
279605,C[NH2+]Cc1c(Cl)ccc2cc(CO)ncc12,0,GDB MedChem
292987,CC(=O)CC(Cc1ccnc(O)c1N)=NO,0,GDB MedChem
260469,CC([NH3+])(CO)C12CCC1C2,0,GDB MedChem
89556,CCC1CC(=O)N2CC=CC2C1,0,GDB MedChem
65117,CC1C=C(CC#N)C(O)C1C,0,GDB MedChem
211609,CN(Cc1scnc1CO)C1CC1O,1,GDB MedChem
169690,C#CC1n2cc(C)cc2C(CCC)OC1(C)C,0,GDB MedChem
356577,CCC1C=C(C)COCC1,1,GDB MedChem
396237,CC1C2CCCCC(C)C2(N(C)C=O)C[NH+]1C,0,GDB MedChem
102921,C#CC(C)C1=CC2CCOC1C2C,0,GDB MedChem
250456,CCC(CCN(C=O)c1sccc1N)=NO,1,GDB MedChem
86945,C#CC1=CC(O)CN(C=O)CC1,0,GDB MedChem
178878,C#CCC([NH2+]CC)C1CCC1,0,GDB MedChem
123606,COC12CC(C)[NH2+]CC1C2C,0,GDB MedChem
15198,COCC1CCCC(C(C)(C)C(C)(C)O)C1[NH3+],0,GDB MedChem
308028,CCC1CC1(CO)C1CC1C,0,GDB MedChem
50141,N#Cc1csc(=N)c2c(CCO)ccc([O-])c12,0,GDB MedChem
153459,C#CCC1(O)C=CCC(C)N(S(=O)(=O)CO)C1,1,GDB MedChem
13557,C[NH2+]C1(C[NH3+])CC(C2C=CCO2)C1,0,GDB MedChem
279038,OCC(CO)[NH+]1CCC=CCC1,0,GDB MedChem
19830,C=C1CCOC(=O)OC(CC)C1=NO,0,GDB MedChem
107728,N#CC1C[NH2+]C2C(O)CC2C1,0,GDB MedChem
43842,C#CC1CCc2c(ccc3c2CC(C)(C)C3)N1,1,GDB MedChem
38050,C#Cc1c(C)csc1CCC(C)=O,1,GDB MedChem
88855,CC(=O)C1CC1[NH2+]CCc1[nH]nnc1C,0,GDB MedChem
178464,CC12CC1CCC(C(O)CO)[NH2+]2,0,GDB MedChem
272698,CC1CC2CC[NH2+]CC=C12,0,GDB MedChem
104109,C#CC1CC(O)CC(C)C=C(C)C1=O,0,GDB MedChem
360137,CCS(=O)(=O)C(C)(C)N(C)C1C[NH2+]C1,0,GDB MedChem
301900,CCNC(N)=[NH+]C(C#CCO)C(C)C,0,GDB MedChem
178159,CC#CC(OC)c1sncc1C,1,GDB MedChem
282134,CC1(C)CCC=Cc2ccc([nH]2)CC1,1,GDB MedChem
56744,CC1C([NH3+])C1(CO)CC(O)CC[NH3+],0,GDB MedChem
279480,[NH3+]CCCCCC1CC=CC1,0,GDB MedChem
26474,CCC[NH+]1CCC1CC1OCC2[NH2+]CCC21,0,GDB MedChem
45163,CCC(OC)C1CN2CC(N)(C#N)C=CC12,0,GDB MedChem
162013,C#CC1(C)CC=C2C(C[NH3+])CC2[NH+]1C,0,GDB MedChem
184424,c1ccn2cc(C3CC3)cc2c1,1,GDB MedChem
355540,C#CC1(C#N)OCC([NH3+])C(OC)CC1C(N)=O,0,GDB MedChem
275795,C[NH2+]C1CN(C2(C(=O)[O-])CC=CCC2)C1,0,GDB MedChem
144064,CC1C([NH3+])C=C(C2CCO2)C1O,0,GDB MedChem
395860,CC1CCC23CC[NH2+]CC2C(O)C=C3C1,0,GDB MedChem
141262,C=CC1(C)NCC2OCC(=O)C1O2,0,GDB MedChem
201851,C[NH2+]CC#CCC1C(=O)C=C(C)C1=NO,0,GDB MedChem
362301,C#CC(O)C1C=CC=CC=C1,1,GDB MedChem
220583,C[NH2+]CC(=O)C(C#N)CCC1([NH2+]C)CC1,0,GDB MedChem
312468,C#CC(=O)c1csc(=N)n(C)c1=O,0,GDB MedChem
45440,CC1(C)CCC=CCCO1,1,GDB MedChem
98180,CC1=C(C)C2(CC2)C(C)=C(C)C2CCCC12,0,GDB MedChem
31708,CCC(C)c1conc1OC,1,GDB MedChem
178881,CC1=CC(C)OCC=CC(C)=C1C(C)C,0,GDB MedChem
93888,CNc1oc2cc1CC=CC[NH2+]CC=C2,0,GDB MedChem
44175,CCC(=CC1OC(=O)OC1C)CO,1,GDB MedChem
105557,CC(C)c1ccn(C)c1C1CC2(C)CCC1C2,1,GDB MedChem
109048,C#CC1CCC(C#N)C(=O)C=CS1(=O)=O,0,GDB MedChem
250731,CC1CCC(C)C1([NH3+])C[NH3+],0,GDB MedChem
4436,CC(=O)C#CCC1=CCC(O)C1,1,GDB MedChem
316858,C[NH2+]Cc1c(C[NH3+])csc1CC1CCCCC1,0,GDB MedChem
307329,CC1=C2CC[NH+](C2)CC2(CC[NH2+]C1)CC2,0,GDB MedChem
204109,CC1=CC=C2CCC2C2CC12C(C)O,0,GDB MedChem
153462,CC1C[NH2+]C1C(C)(C)C1(C(N)=O)CC1,0,GDB MedChem
381290,N#CC1C(=O)C=CC2CC1C=CC[NH2+]2,0,GDB MedChem
102909,CC1=CC=CC=C(C)CC2(CC1)CC2,0,GDB MedChem
91418,C#CCCCN(CC#N)CCC,1,GDB MedChem
97683,CCCC(C)C(CC[NH3+])S(=O)(=O)[O-],0,GDB MedChem
41019,CC(CCCc1cc(N)oc1O)=NO,0,GDB MedChem
57364,CC1COCC2=C1CNCCCS2(=O)=O,0,GDB MedChem
24224,CC(O)CC1=CC2(O)CCC=C2CC1,0,GDB MedChem
187955,C#CC1C2CC(CC2C)N1S(C)(=O)=O,0,GDB MedChem
101728,C1=CC2C[NH2+]CC3(C1)OCCCC23,0,GDB MedChem
71041,COCC12CCOCC1C=CC([NH3+])C2,0,GDB MedChem
138255,CCC1COCC1N1CC(O)CS1(=O)=O,1,GDB MedChem
15209,CCCCn1nncc1-n1cnc(CC)c1,1,GDB MedChem
102529,N#CC1(CO)CCC(CCO)[NH2+]C1,0,GDB MedChem
319465,CCC1CC2(C=CCO1)CCC2,1,GDB MedChem
171951,CS(=O)(=O)CCc1ccc2[nH]ccc2c1N,1,GDB MedChem
262708,N#CCCN1C(C[NH3+])CC1c1nncs1,0,GDB MedChem
343780,CNC1C(C)C(=O)NCC2C[NH2+]C21C(=O)[O-],0,GDB MedChem
37860,CCC1C#CC=C(C)CCCC=CC1,0,GDB MedChem
279528,CC(O)CC1C=CC=CC=C1,1,GDB MedChem
335661,C#CC1[NH2+]CCCC=C2C=C(CC)CCC21,0,GDB MedChem
177971,C#CCC1C=CCC2C=C(C[NH2+]C2)C1C,0,GDB MedChem
264225,C#CC(=CCN(C)C=O)CC1CC1,1,GDB MedChem
182837,CC[NH2+]C1CNCC(C(C)(C)[NH3+])C2CC12,0,GDB MedChem
93616,C#CC(C)(C)CC1(CC)C[NH2+]C(C)CC1C,0,GDB MedChem
212068,N#CC1NCCC(NC(N)=[NH2+])C2CC12,0,GDB MedChem
301755,CCC(C)(C)C1CC=CC[NH2+]C1,0,GDB MedChem
215106,C#CC1(CO)c2c(CC)cccc2C(C)C1C,0,GDB MedChem
326220,C[NH2+]CC1(CC(C)C)CC2OC(=O)C(O2)C1C,0,GDB MedChem
68987,C1#CCC2CCC2OCCCC[NH2+]C1,0,GDB MedChem
370805,CC1=CC2C(O)CN2C=CS(=O)(=O)C#C1,0,GDB MedChem
177915,CC#CCC(O)C([NH3+])C(N)=O,0,GDB MedChem
339191,C#CC1=CCCCc2c(NC)sc(CC)c21,0,GDB MedChem
329189,C#CC1(C)CCC(O)C1=O,1,GDB MedChem
205730,CCC[NH2+]C1(CC)CC(C[NH3+])C1,0,GDB MedChem
314456,C[NH+]1CC2COC(C[NH3+])C(C1)C2CO,0,GDB MedChem
53347,CCOC12C=C(C)C(O1)C(CO)CC2[NH3+],0,GDB MedChem
357862,CC(=O)N1C(=O)N(C)CC2[NH2+]CC21,0,GDB MedChem
285239,CC(=O)C(C)C(C(=O)[O-])C(C)O,0,GDB MedChem
343065,CC1(O)CC=C2CC=CC[NH2+]C2C1=O,0,GDB MedChem
375339,O=C1C=CCC(C(=O)CCO)C1,1,GDB MedChem
123079,CC1OCCCN(C=O)C1(C)C(=O)[O-],0,GDB MedChem
260497,C#CCC1CCc2c(C(C)C)ncc(CC)c21,0,GDB MedChem
172212,C#CC1(COC)CN(C)C(=O)C(O)C1=O,0,GDB MedChem
165024,C#CCC(CC)C1CCC(C)(C(C)C[NH3+])CC1,0,GDB MedChem
135545,CC#CCC(O)(C[NH3+])C(CO)CCO,0,GDB MedChem
372901,CC(C)C1C2CC(C[NH3+])CC21,0,GDB MedChem
233696,Cc1c(C)c2c3c(ccnc3c1C[NH3+])NC2,0,GDB MedChem
230878,C#CCC(O)C1(O)CC=C(C)C1[NH3+],0,GDB MedChem
280377,CCC1(c2ncc[nH]2)C(C)C1[NH+](C)C,0,GDB MedChem
393468,CCCC1CCc2sc(C(C)C)c(C)c2C[NH2+]1,0,GDB MedChem
38290,C#CCC(O)(C#N)c1cnco1,0,GDB MedChem
366381,CCC1=CC2(CC(C)C2)[NH2+]CCCCC1,0,GDB MedChem
323598,CCNc1c(C)ccc(C)c1C(C)CC,1,GDB MedChem
191123,C=C1CC(O)S(=O)(=O)C1CC(C)(C)C,0,GDB MedChem
7564,CCC1(CC)CCC(C)C(C)OC1CCC[NH3+],0,GDB MedChem
43831,CCC1CCC(=O)CC1(C)C,1,GDB MedChem
16879,CC#CC1=CC2CC(C)[NH+]2C12CCC2,0,GDB MedChem
354923,C=C(c1ccn(C)c1O)C1(C)CC1,1,GDB MedChem
69736,CC#CC1(C)C=C(C#N)CCC(=O)N1,0,GDB MedChem
133865,C#CC1CC2(C=CC=C2C(=C)C)O1,0,GDB MedChem
82228,C#CCN1CC2(OC(=O)CN)CC1CO2,1,GDB MedChem
210661,C[NH2+]C1C2NC(CC#N)C1N(C)C2=O,0,GDB MedChem
169332,CC1=CC=C(C2C=CC[NH2+]2)CC2CC2C1,0,GDB MedChem
360152,CCC1=CC(C)=C2C[NH2+]C23CCCC3=C1,0,GDB MedChem
388362,O=C1CCC2CC(C[NH2+]2)O1,1,GDB MedChem
35159,C=C1CCCC2COC(O2)C(=O)N1,0,GDB MedChem
358788,C#CCn1ccc(-c2cc(C)c(CCC)[nH]2)c1,1,GDB MedChem
102903,C1C[NH2+]CCC2OCCC(C1)O2,0,GDB MedChem
289661,C[NH2+]CC(CN1CC(C[NH3+])C1)OC,0,GDB MedChem
382385,CC#CC(O)C(C#N)C(C)C,1,GDB MedChem
381391,CCC1CC([NH3+])CCc2cccnc2CC1C,0,GDB MedChem
141117,C#CC(C#N)CC(=O)N(C=O)CC[NH3+],0,GDB MedChem
78263,CCCC1=C(C)C(C)(C)C([NH3+])C1,0,GDB MedChem
325966,CCC1=CC2(C=C(C)CCC2=O)OC1=O,0,GDB MedChem
77413,N#CC1CC2[NH2+]C(Cc3ccno3)CCC2N1,0,GDB MedChem
232042,CC[NH+](CCO)C1CCC1O,0,GDB MedChem
42880,CNC(=O)Cc1ccc(N(C)CCC[NH2+]C)o1,0,GDB MedChem
152904,CC([NH3+])C1=CCC2CC2[NH2+]C1,0,GDB MedChem
143958,C#CCC1[NH2+]CC2CNC21,0,GDB MedChem
251713,CC1(C)CC([NH3+])C(=O)OCC1C1CC1,0,GDB MedChem
117722,CC1(C([NH2+]CC(O)CC#N)C(N)=O)CC1O,0,GDB MedChem
392334,C#CC1=CCC(CC)=CCC1=O,1,GDB MedChem
191765,C#CC1C([NH3+])C2C(OC)CCN12,0,GDB MedChem
232331,CCC1CC(=O)OC2(C=CC(=O)NC2C)O1,0,GDB MedChem
78144,CC1=CCCC2CC=CC2=C(C=NO)CC1,0,GDB MedChem
171145,CC1OC(C2C[NH+](C)C2)C1(C)[NH3+],0,GDB MedChem
62281,C#CCC1CCc2cc(C[NH3+])ccc2C(=O)O1,0,GDB MedChem
355216,CCC1CC(C)=CC2C=CCOC1(C)C2,0,GDB MedChem
37761,[NH3+]CC1OC(=O)NCCC2(C[NH3+])CC12,0,GDB MedChem
359353,CC(C)(CC(O)C(=O)C#N)C(N)=O,0,GDB MedChem
349289,CC#Cc1cn2c(c1C)C=CCC=C2,0,GDB MedChem
162048,C[NH+](CCC1(C)CC1)C1CCC1,0,GDB MedChem
380998,CC1=CC2(CC[NH2+]2)C(C(C)C)=CC(C)C1C,0,GDB MedChem
358775,C[NH2+]C1C(C)C12CCC2[NH3+],0,GDB MedChem
226755,CCCC12CC(=O)OCCC1=CNC2=O,0,GDB MedChem
40949,CC1=C(C#N)C(=O)C=CCC=C(CO)C1=O,0,GDB MedChem
137798,CCCC1CC(CCNC(N)=[NH2+])C(C)(CO)C1,0,GDB MedChem
286094,CCC([NH3+])C(N)C(O)COC,0,GDB MedChem
90772,C#CC1(COC(C)CCCC)CCOCC1C,0,GDB MedChem
119315,CC1=CCC2C=C3C[NH2+]C3CC2C1NC=O,0,GDB MedChem
265002,C[NH2+]C(C)(C)COCC#N,1,GDB MedChem
41245,Nc1cc2c(s1)CC=CC=CC2,1,GDB MedChem
153456,C#CC(C[NH3+])(CC(C)C)C(O)C(O)CC,0,GDB MedChem
10325,CC1=C2CCC[NH2+]C2COC1C(C)(C)C,0,GDB MedChem
123582,C[NH2+]CCCC(=O)C(O)C(=O)CC#N,0,GDB MedChem
305665,C#CC(=O)C(O)CC1(C)CC2CCC(C1)[NH2+]2,0,GDB MedChem
262701,C#CC1=C2CC=C(C)C2CC2CCC2C1=NO,0,GDB MedChem
32828,CC(=O)C#CC(O)CC(C)(C)C(CO)=NO,0,GDB MedChem
132082,CC(CO)OC1CN(C)C(CC[NH3+])CO1,0,GDB MedChem
319533,CC1CCCC=CCC2=CC[NH2+]CC1C=C2,0,GDB MedChem
365023,CC(C)C1CC2C=CC([NH3+])C21,0,GDB MedChem
28494,C#CC(C)(CC)[NH+]1CCCC(C)CC[NH2+]CC1,0,GDB MedChem
206539,CCC1=CC(=O)N(C(C)CC)C1,1,GDB MedChem
358051,CC1C=CNC(=O)CC#CC1,1,GDB MedChem
213886,CCOC1C[NH+](C)CC2CC=CC21,0,GDB MedChem
362085,COC1(C)CNC(C)C(=O)C1=O,0,GDB MedChem
367523,CN=c1c(C)c(C)sc(C)c1Cn1nccn1,0,GDB MedChem
60144,CN=c1occc2c(NC=O)ccnc12,0,GDB MedChem
109440,CC(=O)C(C#N)C12CC=CC1CCCN2C,0,GDB MedChem
49016,CCc1[nH]c(C)cc1CCC[NH3+],0,GDB MedChem
10504,C#CC(CC)(CC)CC1CCC(C)(C)[NH2+]C1C,0,GDB MedChem
397301,CN(C=O)CC1(C)NCC1=O,0,GDB MedChem
277264,C#CC(CO)c1nc2[nH]ccc2c(C)c1C,0,GDB MedChem
138456,C[NH+](C)CC1CC1C1CC1[NH3+],0,GDB MedChem
226459,CCC1=C(C)CC2CC2(OC)C1,1,GDB MedChem
389018,C#CC([NH3+])C1C(=C)C(C#N)N1C=O,0,GDB MedChem
123728,CCC1=Cc2ccoc2OCC(C#N)C#C1,0,GDB MedChem
46942,CC1(C)C(O)C(=O)C2CCC(=O)C1CC2O,0,GDB MedChem
248978,CCC(C)C(C)(C)C(C[NH3+])c1cncsc1=O,0,GDB MedChem
66418,C#CC1=CC(=O)OCC(C)(C#N)N1,0,GDB MedChem
184452,C=CNC(=O)CC1CC(C(=O)[O-])O1,1,GDB MedChem
129627,CCCC(C)([NH2+]CC)C1CC1O,0,GDB MedChem
227872,CC(O)CC(CO)C(C[NH3+])NC=O,0,GDB MedChem
178477,C#CC(C)(C)OC1(C(C)(CC)[NH2+]C)COC1,0,GDB MedChem
139418,C#CCOCC1=CCC(=NO)C1,1,GDB MedChem
86417,CCC1=C(C[NH2+]C)C=C(C)C=C(C)C=C1,0,GDB MedChem
278265,CC1C2CCC1C(=O)OC2,1,GDB MedChem
363358,C=CC1CN(C)C2C[NH2+]CC2C[NH2+]1,0,GDB MedChem
23125,CC(C)(CC#N)Nc1cnc(CO)nc1N,1,GDB MedChem
234153,C#Cc1c(NC)c[nH]c1C(C)C,1,GDB MedChem
132743,CCC1OC2C=C(C)C1C2CC,1,GDB MedChem
183722,C[NH2+]C1(C2CC[NH2+]2)C2CCC21,0,GDB MedChem
194691,CCC1(NC(N)=[NH2+])CCCC1=O,0,GDB MedChem
92613,CNc1ccn(C)c(=[NH+]CC[NH3+])c1CC#N,0,GDB MedChem
86371,CC#CC1CC=C(CC)C1,1,GDB MedChem
224860,CC1C=CC(CC2CC2)C#CCC(C)(C)C1,0,GDB MedChem
79827,CC1=CCC=C(C)CC2(C)C[NH+](CCO2)C1,0,GDB MedChem
186155,C#CC1=CC2CC(C)=CC[NH+]2C2CCOC12,0,GDB MedChem
63977,CNC1=[NH+]CC=C(C)C2(CC2)NC(=[NH2+])N1,0,GDB MedChem
192821,C[NH+](C)C1CC([NH3+])(CO)C1,0,GDB MedChem
302155,N#CC1CC=CC=CCCNc2cc1n[nH]2,1,GDB MedChem
35188,CCCc1cn2c(CC(C)C)ccc2cc1C,1,GDB MedChem
10531,CCC(C)(C)CC1C2CC2C(C)(C)C1C,0,GDB MedChem
47635,C#CC(C)(O)C1[NH2+]C2CC(=O)C1(C)C2,0,GDB MedChem
301751,CC(C)[NH2+]C1C(C(O)C[NH3+])=CCC1O,0,GDB MedChem
205563,CC[NH2+]C1CC2CC(C#N)C1(CO)O2,0,GDB MedChem
69760,[NH3+]C12C=CC=C1CN(C=O)C(=O)C2,0,GDB MedChem
15356,COC(C(C)C)C1([NH3+])CC[NH+](C)CC1,0,GDB MedChem
320105,CCCC1CC(CO)C1,1,GDB MedChem
373568,Cc1ccc2c(c1N)CCO2,1,GDB MedChem
199318,C#CCN1C(=O)CC(C)=C1CCC,0,GDB MedChem
35169,CC#CCC1=CCc2c[nH]nc2C=C1,0,GDB MedChem
266943,N=C1NC2=C(C=CC2)CCN1C=O,0,GDB MedChem
369189,CC1=CCC(C)(CC#N)C(C)CCC=C1,0,GDB MedChem
62660,O=C1C(=O)C2OCOC2C1CCO,0,GDB MedChem
162234,CC1(CC2CC2)[NH2+]CC1[NH+]=C(N)N,0,GDB MedChem
187908,COC1C([NH3+])CC12CC[NH2+]C2CO,0,GDB MedChem
182828,CCC1CC2C(C)C2(C)C[NH+]1C,0,GDB MedChem
249247,[NH3+]C1CCCCC1C1=CCC2CCC2=CC1,0,GDB MedChem
352473,C#CC(C)(C(C)C)C12CCC(C1)C(C[NH2+]C)C2,0,GDB MedChem
124394,N#CC1=CCC#CC(C2([NH3+])CC2)=CC=C1,0,GDB MedChem
264833,CC#CC1([NH3+])CC(C2CC2)C1,0,GDB MedChem
69335,[NH3+]CC1C2=CC[NH2+]C1CCNC(=O)N2,0,GDB MedChem
318827,CC1C=C(C2CC2CO)CCO1,0,GDB MedChem
227672,[NH3+]CCCC#CC1C=Cc2cccnc21,0,GDB MedChem
265219,C#CC([NH3+])c1sc(NCC)c(NC)c1C,0,GDB MedChem
360320,CCC1([NH3+])COC(OCC[NH3+])C1N,0,GDB MedChem
273783,C#CC1C=CC2(O)CC(C)C1C2,0,GDB MedChem
164804,C#CC1C=C(CO)C(C)(C)C=CC=C1C,0,GDB MedChem
268847,Cc1c(O)nc(O)c2c1OC(CO)C2[NH3+],0,GDB MedChem
394649,CCC1C(C)CCN(C=O)C(C)C(=O)CC1C,0,GDB MedChem
163748,CC(C)(C#CCCCCO)CC1CCC1,1,GDB MedChem
87199,CC#CC1=C2C(=CC[NH2+]C2(C)C)CC1,0,GDB MedChem
319545,C#CCC1CC2CC(=O)C2C1,1,GDB MedChem
119171,O=C1C=CC2C=CCC(C=NO)=CC3CC123,0,GDB MedChem
59797,CC1OCC(C2CC2)CC1O,0,GDB MedChem
43423,C#CC1=CCOC(CO)C2(CC)C(C)CC12,0,GDB MedChem
329882,CCC(OC)C1C[NH2+]CC2(CCC2C)O1,0,GDB MedChem
104118,O=CS(=O)(=O)N1CC2=CC(=O)CCCC2C1,0,GDB MedChem
127952,CC=C1CCc2occ(N)c2CC1,0,GDB MedChem
321167,CC([NH3+])C1=CCCC2CCCC12,0,GDB MedChem
301335,NC(=O)C1=CCC[NH2+]C2(CCC2N)C1,0,GDB MedChem
237534,CCN(Cc1ccn[nH]1)C1(CO)C[NH2+]C1C,0,GDB MedChem
156844,C#CC(C)([NH+]=C(N)NC)C1CC1(N)C#N,0,GDB MedChem
375929,Cc1cccc(C2=CCN3CCC23)c1F,1,GDB MedChem
286392,CC[NH+]1CC(CC2CC=C(C)CC2=O)C1,0,GDB MedChem
135705,CC1C[NH2+]C2CC=CC2CC(C)O1,0,GDB MedChem
281577,[NH3+]CC1CCC2(C[NH2+]1)CC1OCOC12,0,GDB MedChem
93575,CC#CC1(C)OCC(=O)CCOC1=O,1,GDB MedChem
211638,C1COCC2CC3CC3(C1)C2,0,GDB MedChem
395189,CC(C[NH3+])C(C)(OC1CCOCC1)C(C)(C)O,0,GDB MedChem
56139,O=C1C2=CC=CC3CCCC3C(O)C1CC2,0,GDB MedChem
397268,C=CC1C2C(C)=CC(CC)C12OC,0,GDB MedChem
241232,CCC1([NH2+]CC#CC(C)(C)C)CC([NH3+])C1,0,GDB MedChem
207103,CCCC1=C(CC#N)CC(C(C)[NH3+])C1,0,GDB MedChem
247902,N#CCNCc1c[nH]c(CC(N)=O)c1O,1,GDB MedChem
366684,CC1CCCC2CC1(C)CCC=CC2[NH3+],0,GDB MedChem
368705,C=C(C)C1NC(C)(C)C(=O)C=C1C,0,GDB MedChem
128374,C=C1CC(C)C(Oc2c[nH]nn2)C1,0,GDB MedChem
125599,CN(CC#N)CC(C)(C)C,1,GDB MedChem
149268,CC#CC1NC(=O)C2(C=C1C)CC(O)C2,0,GDB MedChem
58796,C1#CC2CC[NH+]2CC=C2CCC(=CC=C1)C2,0,GDB MedChem
119168,C=C(C=C(CO)n1ncnn1)CC,0,GDB MedChem
66549,CCC(O)C1CCC=C1C1CC=CC1C,0,GDB MedChem
387010,Cc1cc(N)cc(CCCCCCC(C)C)c1,1,GDB MedChem
297754,CC(C)CC1=Cc2cc[nH]c2C(CCO)C1,0,GDB MedChem
292611,CC(C)C#Cc1cn(CC(C)C)c(=O)o1,1,GDB MedChem
368336,COCC(C)(O)C1NC(N)=[NH+]C(C)(C#N)C1C,0,GDB MedChem
139289,C[NH2+]C1C=C2CC[NH+]3CCC3C=CC=C1C2,0,GDB MedChem
279591,CC1=CC2=CC(O)CC2=C(C)C=C1C,0,GDB MedChem
143288,CCC1CC2[NH2+]CCC([NH2+]1)C(CC)(CC)C2C,0,GDB MedChem
106890,CCOC1C2CCC(C)[NH+](C)CC1(CC)OC2,0,GDB MedChem
82477,CC1=CC(O)CCC1=C1C[NH+](C)C1(C)C,0,GDB MedChem
145904,CC1C=CC=CC=C2NC(=O)C=C21,0,GDB MedChem
170923,C#CC1C([NH3+])C(C[NH3+])CN1CC[NH3+],0,GDB MedChem
203088,[NH3+]C(CO)C1=CCC2CC1(O)COC2=O,0,GDB MedChem
245630,C[NH+](C)CC(CN)([NH+]=C(N)N)C(C)(C)C,0,GDB MedChem
186804,CCCC1([NH3+])CCNC(=O)C1,0,GDB MedChem
220109,CC[NH2+]C(C[NH+](CC)CCCC(C)C)C(C)C,0,GDB MedChem
19037,COCC1[NH2+]C2CC(=O)CC=C12,0,GDB MedChem
375930,CC1=C2CCC2C(=O)NC=CC(O)C([NH3+])C1,0,GDB MedChem
261823,COc1scc(CO)c1OC,1,GDB MedChem
195125,C#Cc1ccn(Cc2cc(C)c(C)c(F)c2)c1,1,GDB MedChem
94307,C=CCC([NH2+]C(C)C)C(C)(C)[NH2+]C,0,GDB MedChem
249026,O=C1CC=C2NC(=O)OC2CCOC1,0,GDB MedChem
240727,C=C(CC#N)C([NH2+]C)C(O)C(C)=O,0,GDB MedChem
22911,CC1=CC=CC2OCC=CC(=C1)CO2,0,GDB MedChem
73947,CCC1(C)C=CC2CC1C(=O)CO2,0,GDB MedChem
285420,C#CC1=C(C[NH3+])C2=CC(C)(CCC1)OC2,0,GDB MedChem
239504,CCc1[nH]c(C(C)O)nc1C,1,GDB MedChem
101808,CCOC1C(C)C(O)C1C,1,GDB MedChem
204721,CNC1=CS(=O)(=O)CC(O)C(C)C=C1,0,GDB MedChem
52020,C=C1CC2CC(=C)C3CC(C1C)[NH+]23,0,GDB MedChem
86972,[NH3+]C1CC1C1C=CC2(CC2)[NH2+]1,0,GDB MedChem
65231,C#CC1=C(C(C)(N)C[NH3+])C(C)=CC2CC2C1,0,GDB MedChem
207240,CCC1C(C#N)C(NC(CO)CO)CCN1C,0,GDB MedChem
156902,CCCC1=CC2CC(OC23CC3)C1C,0,GDB MedChem
285240,CC1=CCC2C=CC(C)C[NH2+]C(C)CC12,0,GDB MedChem
116739,CC(C)C1=CC2CC1CC(=O)C(O)CC2C,0,GDB MedChem
295104,CCC12CCC(C)C1C2C,1,GDB MedChem
183817,CC12CC1CN(C(N)=O)C2,1,GDB MedChem
117833,CC1CCC2(CC2COC2COC2)[NH2+]1,0,GDB MedChem
53514,CCOCc1csc(O)c(O)c1=[NH2+],0,GDB MedChem
186336,CCCCC1C(OC)CCC1(CC)CCCC,0,GDB MedChem
164250,COCC12[NH2+]C(C)C1C(=O)C=C(C)C2C,0,GDB MedChem
197994,C#CCC1=CC2(CC2)C(O)C([NH3+])C1,0,GDB MedChem
224423,COC1C(=O)C2CC1C(O)C2=NO,1,GDB MedChem
358766,CC(C)C([NH3+])C1CC1(C)C,0,GDB MedChem
90797,CCCC(C)(C[NH3+])c1c(C)c(C[NH3+])coc1=N,0,GDB MedChem
47975,CCC(=O)N(C)C(C)C(OC)C(=O)NC,1,GDB MedChem
92514,C#CC(C)C[NH2+]C1CCCC1(C(C)C)C(C)C,0,GDB MedChem
191122,C=CC(C(=O)[O-])(C(C)[NH3+])C(C)(C)[NH3+],0,GDB MedChem
125428,CC1CC2(C1)C(C)C1COC12,0,GDB MedChem
2055,CC1=C(N)C(C=CCC#N)=CC1=O,0,GDB MedChem
369579,CC1NC(C#N)C(CCO)C1O,0,GDB MedChem
94071,O=C1CC(O)C(=O)C2(CC2)O1,1,GDB MedChem
10814,CC1Cc2coc(N)c2CCCC1=O,0,GDB MedChem
290417,C1=CC2OC3C=CCC23C1,1,GDB MedChem
32773,CC1OCCC(=O)OCc2nc1nc(N)c2N,0,GDB MedChem
28829,C=C1CC2CC(C)C(C(=O)[O-])=CC12,0,GDB MedChem
156868,CCCc1c[nH]nc1-c1c(NCC)coc1[O-],0,GDB MedChem
324387,C[NH2+]CCC(=O)N1CC([NH3+])C=CC1C[NH3+],0,GDB MedChem
145867,C[NH2+]C1C2CC2C(O)C12CC2,0,GDB MedChem
361453,C[NH2+]C12CC1CCC1=CCC([NH3+])CNC12,0,GDB MedChem
367700,C#CCC[NH+]1CCC=C(C2=CCCC2)C1,0,GDB MedChem
206472,[NH3+]C(CCC1(O)CC1)CNc1ccc[nH]1,0,GDB MedChem
58906,C[NH2+]C1(C2CCO2)CC(=O)CC(=O)C1,0,GDB MedChem
376848,CN1CC(O)(CC#CC=CC[NH3+])C1,0,GDB MedChem
310505,Nc1ccc2c(n1)CC(O)CCO2,1,GDB MedChem
224855,CCCC(C(C)[NH3+])C(C#N)OCC,0,GDB MedChem
38021,CCC(C)(O)C1(C(C)C)CCOCO1,1,GDB MedChem
194373,CC1=CC(C)C2(C=C3COC3C1)CC2,0,GDB MedChem
185832,CCC(CC[NH2+]C)c1[nH]c(CO)cc1CC[NH3+],0,GDB MedChem
305722,CC(CO)OCC1CC=CC([NH3+])CO1,0,GDB MedChem
184581,C#Cc1cn2c(c1CC)CCC(CC)CCC2,1,GDB MedChem
343861,CC(C)[NH2+]CC1CN(C)CCN1CC(C)(C)C,0,GDB MedChem
312577,C#CC1=C2C=C(C)CCC=C3C(C)N(C1)C32,0,GDB MedChem
367227,NC1C[NH2+]CC2C(O)CC=CC12,0,GDB MedChem
396006,C[NH+](C)CC1(C[NH3+])CN2CCCC21,0,GDB MedChem
256279,CC(=O)C1C[NH2+]C(C(=O)[O-])C1OCC(C)CO,0,GDB MedChem
280110,CC1C=CCC2CC(CN)[NH+]1C2,0,GDB MedChem
275856,C#CCN(CC)CC[NH+]1CCC1,1,GDB MedChem
264593,C#CCN(C)c1c(C)c(O)nc(C)c1O,1,GDB MedChem
261139,C#CC1NCCOC1(C)C#N,0,GDB MedChem
41551,Cc1[nH]cc2c1CCOC(=O)C=CCN2,0,GDB MedChem
275826,CC1=CC2=C(C=CC1)C=C(C)C[NH2+]CC=C2,0,GDB MedChem
140202,NC(=[NH2+])NCC1[NH2+]CCOCC2COCC1N2,0,GDB MedChem
211704,CC1(CCc2cnno2)COC1,0,GDB MedChem
360153,CCCC1CC2CC3(CCO3)C(C)=C12,0,GDB MedChem
243274,C#CC1(C)[NH2+]CC2CCC(C)C1C2,0,GDB MedChem
73117,CCC([NH3+])C#CC1CCN(C)CC(C)([NH3+])C1,0,GDB MedChem
285475,CC1=CC=CC(C(O)C[NH3+])C(C)([NH3+])C1C,0,GDB MedChem
359313,CC[NH2+]C1(CO)C(=O)NC(C)C=C1C(C)C,0,GDB MedChem
122558,O=C1C=CC(O)COCC1=O,1,GDB MedChem
351477,CC[NH2+]CC#Cc1ccoc1C(C)(C)C,0,GDB MedChem
336869,CC(C)C[NH2+]C1CC([NH3+])COC12CC2,0,GDB MedChem
143039,CC1=C(C(=O)C2NCC2O)CCCNC1=O,0,GDB MedChem
23147,C=CC(=CCC)c1csnc1C=C,1,GDB MedChem
326526,CCC1CC2(C=C1C)CC=C(C)C2O,1,GDB MedChem
334947,C#CCCCCOC1CC2CC(C)C[NH+]2C1,0,GDB MedChem
194671,COC1C=CCC(O)C(O)CC(=O)O1,0,GDB MedChem
242486,C#CCCCc1cc(C)sc2c(C)c(C)cc1-2,0,GDB MedChem
360926,CC1=CC2COCC(O)C1[NH2+]2,0,GDB MedChem
45527,CC1=CCCC[NH2+]CC(C#CCC#N)=C1,0,GDB MedChem
395035,CCC1=CCC(O)C2OC(C#N)C12,0,GDB MedChem
178181,C#CC(C)(C)S(=O)(=O)C12CC=CC(OC1)O2,0,GDB MedChem
339335,CC(OC1C(O)C1(C)C)C1CN(C)CC1=O,0,GDB MedChem
219317,CCC(=O)N1CC2C([NH3+])C2C1C#N,0,GDB MedChem
195169,C#CC1(C[NH3+])CN(C=O)C2CC1[NH+](CCO)C2,0,GDB MedChem
45504,CC1CC=C(C(N)=O)C([NH3+])C1,1,GDB MedChem
355269,CCC=CC1(OC)C=C(C)NC1=O,0,GDB MedChem
302880,CCCc1cc(C)c2c(c1F)OCC(C)C2C,0,GDB MedChem
382319,CCC(C(=O)C1CC1C)C(C)C[NH2+]C,0,GDB MedChem
127841,COC1(C[NH3+])C2CCC(O2)C1NC=O,0,GDB MedChem
198610,C[NH2+]C1C=C2C(=C(C)C(C#N)C3C[NH2+]C23)C1,0,GDB MedChem
360055,CC1CCC(C[NH3+])=CC(O)C(C)(C)O1,0,GDB MedChem
28863,COCCCOCCCC#N,1,GDB MedChem
147462,C#CC1=C(C)CC2([NH3+])C(C)C12,0,GDB MedChem
27671,CNC(C#CC[NH3+])C[NH3+],0,GDB MedChem
348353,CCC(C)(C)C1=CC2(C)NC(=O)CC=C2C1,0,GDB MedChem
78060,CCC1C[NH2+]C1C1CC[NH2+]1,0,GDB MedChem
220028,CN1CC(C#N)C(C[NH3+])C1CO,0,GDB MedChem
220785,OCC1CCCCC[NH+]=C2NCC(O)CN2C1,0,GDB MedChem
256771,CCC(CC)N1CC(=O)C1(C)C,1,GDB MedChem
13239,CCC1=CC(C)=CC(C)([NH3+])C=CC#C1,0,GDB MedChem
99186,O=C([O-])C1C=CC(C2(O)CC2)C1O,0,GDB MedChem
198906,CC1C(C)C2C(C#N)=CCC12,0,GDB MedChem
39517,C=C1CCC[NH2+]C12CC(C)C=C2C,0,GDB MedChem
318444,CNC(=O)C1OC(C)C2C[NH2+]C12,0,GDB MedChem
62437,C[NH+](C)C1CC2C[NH2+]CC21,0,GDB MedChem
370819,CC(O)C(C)(O)C(C)(O)C[NH3+],0,GDB MedChem
48931,CCC1CC2(CC2)C[NH+](C)C1C,0,GDB MedChem
330660,C#Cc1cc(Cl)c(O)cc1C,1,GDB MedChem
155963,C#CCCC1(CC)CCc2cscc21,0,GDB MedChem
350133,C#CCOC(CC[NH2+]CC)C(C)=NO,0,GDB MedChem
239700,CCC1CC(C([NH3+])C(C)C)C1,0,GDB MedChem
232877,CC1CCOc2c3c(cc(F)c21)OCCC3=O,1,GDB MedChem
239043,CCC(C)C12OCC1=C(C)C[NH2+]CC2C,0,GDB MedChem
195956,CC(C)(O)CC(C[NH3+])CC1CCC1(O)C[NH3+],0,GDB MedChem
310721,O=C1COC2C=CCC2O1,1,GDB MedChem
124008,[NH3+]CC1CCC([NH3+])C2(OC(=O)CCC2C[NH3+])O1,0,GDB MedChem
81301,CCC(=O)CN(CC)CC1OCC1C#N,1,GDB MedChem
191835,C#CCC1OCCC=CC(=C)S1(=O)=O,0,GDB MedChem
10356,C[NH2+]CC#CC(C)=CCCC1CC1,0,GDB MedChem
192121,CC1C=CC2C(C(=O)CO)C12C,0,GDB MedChem
351489,[NH3+]CC#CC1(CC[NH3+])CC(C[NH3+])N1,0,GDB MedChem
28841,C#CC(C)(C[NH3+])C1OCCC1CC(CC)CC,0,GDB MedChem
191656,C#Cc1cncc(OC)c1CC,1,GDB MedChem
301711,N#CC1C=CNC(=O)C1C1CC1[NH3+],0,GDB MedChem
250727,C[NH2+]C1C=CC2C(=C(C)C1)C=C(CO)C2C,0,GDB MedChem
45118,Cc1c(N)oc(CO)c1C#CC(C)(C)C[NH3+],0,GDB MedChem
264559,C[NH2+]C1C(N)C1(N)CC(C)C#N,0,GDB MedChem
30487,[NH3+]C1CC(=CNC=O)C1C#CCO,0,GDB MedChem
398282,NC1=CS(=O)(=O)CC2CC2NC2CNC1C2=O,0,GDB MedChem
14252,N#CCC1(C2OCC2[NH3+])CC(O)CN1,0,GDB MedChem
198859,CC1CC(C#N)C1=NO,1,GDB MedChem
307437,C[NH2+]CC(CCC(=O)C(C)C(C)(C)C)C(C)C,0,GDB MedChem
113169,CC1CC2CCC(O1)C(O)CC[NH2+]2,0,GDB MedChem
137031,CC1C=CCC1OCC1CC1N(C)C=O,1,GDB MedChem
318851,CCOC12CC(C[NH2+]C1C(N)CC(N)=O)CO2,0,GDB MedChem
4528,O=C1NC2=CC1OC1C(=O)C(O)C1C(=O)C2,0,GDB MedChem
40682,C=C1COCC2C(C(N)=O)CC12C,0,GDB MedChem
343881,CC[NH2+]C1C(O)C2CCOCC21N,0,GDB MedChem
170742,CC1CN(C)CC2(C#N)C([NH3+])CC12,0,GDB MedChem
370865,C#CC1CCCC2C=CC(N)C12[NH3+],0,GDB MedChem
245047,CCCC1CC([NH3+])C(C)(C)C(CC#N)N1,0,GDB MedChem
247888,C=CCC1(C(N)=O)CC(O)C[NH+]1C,0,GDB MedChem
380957,CC1CC([NH3+])C12[NH2+]CC1=C2CCCOC1,0,GDB MedChem
161898,[NH3+]C1(c2cc(=O)ccs2)CCCCCC1,0,GDB MedChem
336836,O=CNC1=C2C=CCC2=CC=CC12CC2,0,GDB MedChem
31550,C=C(C)C1(C2CC2C#N)C[NH2+]C1C,0,GDB MedChem
30831,CCC12CC3NC(=O)CC=CC3CC1C2,0,GDB MedChem
336562,C=C(C)CC1C(C)C=C(CC)C1O,1,GDB MedChem
65545,CCCC1=CC2(CC2C)C2CNC(=O)C=C12,0,GDB MedChem
282032,CC1(C)[NH2+]CC=C1CC1CCC1,0,GDB MedChem
198562,COC1CC(C#N)C(C(N)=O)C1,1,GDB MedChem
43442,C#CCC1=C(C(N)=O)C=CNC(=[NH2+])N1,0,GDB MedChem
285041,CC1=CC(C2CC=CC2)C=C(C)C1,0,GDB MedChem
278308,OCC1CC12CC1CCC1C2,1,GDB MedChem
137563,CC1CC=C2C(C(=O)[O-])=CC(C#N)C21,0,GDB MedChem
65209,CCC1C=C(C#N)C(OS(=O)(=O)NC)CC1,0,GDB MedChem
290096,C#CC(C)(C)[NH+](C)Cc1ccnc(CC)c1C,0,GDB MedChem
13552,CCc1cccnc1C1CCC2(CC1)CC2,1,GDB MedChem
152082,CC1=C2C[NH+](C)C1C(C)CCCC(=O)N2,0,GDB MedChem
279508,CCC([NH2+]C)C(C)c1nc(=N)cns1,0,GDB MedChem
168708,CCC1CCCC(O)C#CS(=O)(=O)C1,0,GDB MedChem
195176,CN1CCC(CC#N)NC1=[NH2+],0,GDB MedChem
306687,C#CCC1C[NH+](C2(C)CC(C)C2)CC1C,0,GDB MedChem
369815,CC#Cc1[nH]cc([NH+]=C(N)N)c1CC#N,0,GDB MedChem
198534,CC(=O)C1=CC2CCC2C2CC12,0,GDB MedChem
332292,C=C(C[NH3+])N(C=O)C=C(C[NH3+])CO,0,GDB MedChem
135721,CC([NH3+])C(CO)C(O)CCO,0,GDB MedChem
168954,CC1=CC[NH+](CC(C)(C)C)CC=CC=CC1,0,GDB MedChem
267629,C#Cc1cccc2c1C(C(C)C[NH2+]C)C(C)C2,0,GDB MedChem
131380,CCC1(C(C)C[NH+]2CC=CC=CC2)CC1,0,GDB MedChem
313902,C#CC1(C#N)CC2C=C(C)C(C(C)C)C2O1,0,GDB MedChem
78276,C=C1C(C[NH3+])C(C[NH3+])OCC12CC2,0,GDB MedChem
325973,CCCC[NH2+]Cc1cc2c(=O)c(N)coc2o1,0,GDB MedChem
117739,CCC(=O)C1(C(=O)N(C)C)CC1,1,GDB MedChem
396228,C#CCC12C=CCC(O)C(CCCC1C)C2,0,GDB MedChem
238227,CCC1[NH2+]CC2(C)CN(C)C12,0,GDB MedChem
6237,CC1C[NH2+]C(C)(C2COC2)C1,0,GDB MedChem
205350,C#CC(CO)C(O)(CC)C(C)CC1CCCO1,0,GDB MedChem
56858,CCC1CC2CCC(C)(CCCC1COC)C2,0,GDB MedChem
219071,CC(O)CC1(C2CCC2)CCC1,1,GDB MedChem
219815,Cc1cc2c([nH]1)C(CC(C)C)=CCCC=C2,0,GDB MedChem
189722,CC(C)(CC#N)CCC#CCO,1,GDB MedChem
120175,Cc1ccc2c(c1)CC1C[NH2+]CC1CC2(C)C,0,GDB MedChem
278596,N=c1scc(COC2CCC(=O)C2=O)c(=O)s1,0,GDB MedChem
36378,O=CNC1CC2CN(C=O)CC21,1,GDB MedChem
214943,NC1C([NH3+])C1OCCCC[NH3+],0,GDB MedChem
369362,C=CC(=CC)C(O)CC=CC(N)=O,1,GDB MedChem
312466,C#Cc1cc(N(CC)CCCC)n(C)n1,1,GDB MedChem
110172,COC(C1CC=CC1)C1CNC(=O)O1,0,GDB MedChem
129976,CC1(CO)C2=CC[NH2+]C1C=CC([NH3+])C=C2,0,GDB MedChem
294031,CCC#CC1(C[NH3+])CN(C2CCC2)C1,0,GDB MedChem
116296,CCCC(=O)OCC(=O)[O-],1,GDB MedChem
47615,CC1=CC(=O)C=C(C2CCC2)CC=C1,1,GDB MedChem
385857,C=CCC([NH3+])(C=CCO)CNC=O,0,GDB MedChem
86242,COC(C)C1CC1[NH+]1CCC1C,0,GDB MedChem
281535,COC1CC1C1C(=O)OC1C,0,GDB MedChem
257066,CCC1CC(C)C(C)=CC1=O,1,GDB MedChem
55468,CC(C[NH2+]C(C)C)=C(C)NC(N)=O,0,GDB MedChem
292591,CC[NH2+]C12CC1CCC2CC,0,GDB MedChem
219063,CC(O)Cc1sc(C(C)(C)C)c2c1CCC2C,0,GDB MedChem
366230,C1#CC2OCC2C=CCCC=CCC1,0,GDB MedChem
195035,CC#CC1CC2COC(=O)C(CN2C)O1,0,GDB MedChem
283489,CC(C)C1C=C2CC(C[NH3+])CC2C(C)([NH3+])C1,0,GDB MedChem
127784,CC(C)[NH2+]CC1NCC([NH3+])C(N)C1(O)C[NH3+],0,GDB MedChem
240229,C1=C2C[NH2+]CCCCC(CC1)C2,0,GDB MedChem
385873,CCCC([NH3+])C(C)(C)C1C(CC)CC[NH2+]C1C,0,GDB MedChem
186325,CCC1(COC)[NH2+]CC1N,0,GDB MedChem
171399,CC1[NH2+]CCC[NH+]2CCC(O)(C3CC3)CC12,0,GDB MedChem
360920,C[NH2+]CCc1cocc1CC1CCC1,0,GDB MedChem
165014,C[NH2+]C1CC2=C(C=CCCC2)C2(CC2)C1,0,GDB MedChem
395891,C#CCC1[NH2+]CC12C=C1CCC1CC2,0,GDB MedChem
64195,C[NH2+]Cc1c(C(C)C)cc2c(C)ccn2c1N,0,GDB MedChem
161872,C#CC(C)(C)C(=O)C(C)Cc1ccccc1C,1,GDB MedChem
163694,C#CC1OCOC1(C)C(C)C#N,1,GDB MedChem
94341,CC1CCOC2C(C[NH3+])C2O1,0,GDB MedChem
37984,NC(=O)CCC(CO)C1(O)CC1,1,GDB MedChem
73593,CC1COC(C#CC#N)C1=O,1,GDB MedChem
117762,C#CC1=CCC(C)C1CC(N)=O,0,GDB MedChem
362131,CC1=C(C(C)C2(C)C=CC(C)C2)C(C)CC1,0,GDB MedChem
53148,CCC(C)C(CC)(C[NH3+])CCOCCCCO,0,GDB MedChem
15218,CC#CC1(C)CC1[NH+](C)C,0,GDB MedChem
302117,CC1(CC2=CC(=O)CC(C#N)C2)C[NH2+]C1,0,GDB MedChem
264415,C#CC1[NH2+]CC1C[NH3+],0,GDB MedChem
154578,CC[NH2+]C1C2OCC(C(=O)[O-])C12CC#N,0,GDB MedChem
278334,[NH3+]C1C=CCC2C=C(CC2)C1,0,GDB MedChem
228283,CC1=CC(C)CC[NH2+]C2C(N)C12,0,GDB MedChem
13635,CCN1CC([NH3+])(CC)C(C)CCC1=O,0,GDB MedChem
123105,CC1CCOC1CC1(C)COc2ccccc21,0,GDB MedChem
177936,COCC1C(C)=C2C(C)CC2C1OC,0,GDB MedChem
155860,[NH3+]C1C=CC=CCCC1CO,0,GDB MedChem
227662,CC[NH2+]C(C)C1OCC12CC2,0,GDB MedChem
295135,CC1(CC[NH3+])C(CO)C[NH2+]C1CN1CCC1,0,GDB MedChem
152153,CC#CC(=N[O-])C(C#N)OC,0,GDB MedChem
286765,[NH3+]CC(O)C1OCOCC=C1CO,0,GDB MedChem
134107,CC1=C(C(N)=O)CCC=C(C#N)CN1C,0,GDB MedChem
86787,CC1COCC12CC(CO)C(O)C(=O)CN2C,0,GDB MedChem
33585,O=C1CC(=O)C(OC2CC2)C2C=CCC12,1,GDB MedChem
144073,C#CC([NH3+])C(OCC)(C(=O)[O-])C1CC1[NH3+],0,GDB MedChem
295792,C#CC1=CCC(C=C)=CC(C)S1(=O)=O,0,GDB MedChem
82452,CC1CC2=CC=C3C(O)C=CC23C1,0,GDB MedChem
56148,CCC(O)CC([NH3+])c1coc(C)cc1=O,0,GDB MedChem
285158,C#CC(O)(COC)C1(CCC(C)C)CC[NH2+]1,0,GDB MedChem
278983,NC(N)=[NH+]CC1CC(C[NH3+])C1,0,GDB MedChem
326972,C#CC(C)(C)C12CCC1CC2,0,GDB MedChem
9310,N#CC1(CC(=O)C=CC(N)=O)CC1,1,GDB MedChem
203079,CCc1ccsc1C1CC2C(OC)C=CC12,0,GDB MedChem
149814,CC1(Cc2n[nH]cc2C#CCCO)CC[NH2+]1,0,GDB MedChem
119349,C#Cc1ccc(CCC(C)CC2CCCC2)o1,1,GDB MedChem
146364,COc1[nH]cc(-c2cc(CO)cc(=O)[nH]2)c1C,0,GDB MedChem
219015,CCc1c[nH+]c(CC[NH2+]C)[nH]1,0,GDB MedChem
52362,C#CC1C[NH2+]C(C)CCc2csc(C(C)C)c21,0,GDB MedChem
257029,CC1CCC=CC12CCC2[NH3+],0,GDB MedChem
94570,C#CC1([NH2+]CCC(O)(C(C)[NH3+])C(C)O)CC1,0,GDB MedChem
314620,C[NH2+]C12C=CC(C1)C(O)CC2,0,GDB MedChem
65163,C#Cc1nc[nH]c1C(C)(C)CC,1,GDB MedChem
186795,CC#CCCCc1cccc(F)c1N,1,GDB MedChem
38648,CCC1COC1C12CC[NH2+]C1C2,0,GDB MedChem
249722,C#CC(C)C(O)(C(N)=O)C1(O)CC1[NH3+],0,GDB MedChem
151847,C#CCC(=O)CC1C(O)C1O,0,GDB MedChem
51119,CC1C=CC[NH2+]C2CCC12,0,GDB MedChem
69767,CC#CC1(C)NCC([NH2+]C)C1C,0,GDB MedChem
231301,CNC(=O)C([NH3+])CC#CC(C)C,1,GDB MedChem
159102,C#Cc1c(O)c(O)nc(C)c1C(N)C[NH3+],0,GDB MedChem
41558,CC1(CCC2CCCC2)CC[NH+]2CCC(C2)C1,0,GDB MedChem
376835,OCC12C[NH2+]CCC1CC2=NO,0,GDB MedChem
141275,C#CCC(C)C(CO)NC(=O)N1CCC1,1,GDB MedChem
86645,C=C1COC2CC(=O)C2(C)C1[NH2+]C,0,GDB MedChem
312966,CCC([NH3+])C1(C[NH2+]C)C(N)C1O,0,GDB MedChem
160171,CC#CC1(CO)CCCCCCCCC1,1,GDB MedChem
60158,[NH3+]C1C=CCC=CCC2CCC1=C2C1CC1,0,GDB MedChem
353506,CC1[NH2+]CCCC2(C(N)=O)C(C#N)NC(=O)C12,0,GDB MedChem
29862,C#CC1OC(CC)C([NH3+])C12CC=CC2,0,GDB MedChem
27667,CC1=CCCC(O)CC2CC1=CC(C)C2[NH3+],0,GDB MedChem
171259,[NH3+]Cc1ccn(-c2c[nH]cn2)c1,0,GDB MedChem
280171,CCC1COC(=O)C(CNC(C)=O)N1,1,GDB MedChem
222328,C#CC1([NH3+])CC2CC2C1,0,GDB MedChem
211687,CC#Cc1cc(NC)c(NCC)cc1N,1,GDB MedChem
278588,C#CC(C)(C)C(C([NH3+])CO)C1CC1C,0,GDB MedChem
68117,CCC1=C(c2cnoc2)CCC=C1,0,GDB MedChem
72141,C#CC1CC=C(C)C(C(C)C=C)C1,0,GDB MedChem
203089,[NH3+]CCC(c1ncc[nH]1)C1[NH2+]CC1O,0,GDB MedChem
59541,CC1COC1CCC([NH3+])C[NH3+],0,GDB MedChem
207160,CC#CC1CC(C[NH3+])N(CCO)C1,0,GDB MedChem
361861,CC12C=CCC(C1)OCC2,0,GDB MedChem
380522,CC(C)([NH3+])C1=CC(O)CC(CO)CCC1,0,GDB MedChem
37996,CCC(C)([NH3+])C#Cc1cc(OC)c(N)s1,0,GDB MedChem
72877,C#Cc1oc(CC)c2cccc(C(C)(C)O)c12,0,GDB MedChem
101816,CC1=C(C)C(O)C(C)C1,1,GDB MedChem
285861,CC12CCC(C#N)=C1C=CC[NH2+]2,0,GDB MedChem
195126,CCCC#Cc1nc[nH]c1N,1,GDB MedChem
358040,CCC(O)C1CCC[NH+](C)CC(C)(CO)C1,0,GDB MedChem
81159,CC1CC(C[NH+](C)C)(N2CC[NH2+]CC2)C1,0,GDB MedChem
123951,CC1C=C2CC[NH+](CC#CC(C)([NH3+])C1)C2,0,GDB MedChem
83191,CC1=CC=C(CO)C2CC(=C1)CC2C,0,GDB MedChem
90754,C#CC(CC)(CO)C1=CC[NH2+]C1CCO,0,GDB MedChem
233733,CC=CC1(C#CCC(C)O)CC1[NH3+],0,GDB MedChem
145416,C#CCC1CC(C)(CO)N(CCC)C(=O)C1C,0,GDB MedChem
322517,CCC(C)c1ccc2c(c1)NCCC(C)(C)N2,1,GDB MedChem
144890,CC1N(C=O)CC(O)COCC12CCO2,0,GDB MedChem
44853,O=C1NC(CC2CC(O)C2)=C2COC12,0,GDB MedChem
280421,CC(OC(C#N)C[NH3+])C1CC1(C)[NH3+],0,GDB MedChem
95076,C#CC(CC)C1(O)COC1,1,GDB MedChem
228612,C#CC1NC(=O)C1C1CC1,1,GDB MedChem
197377,CC#CC(CO)OC1COC(C)C1O,1,GDB MedChem
165902,CC1CC12CC(=O)N(C(C[NH3+])C(F)(F)F)C2,0,GDB MedChem
97644,CCC1CC1CCC(C)CCc1ccno1,0,GDB MedChem
289576,CCNc1sc([O-])cc1COCC[NH2+]C,0,GDB MedChem
131116,CC1CN2C(CCC=CC23CC3C)C[NH2+]1,0,GDB MedChem
13300,CC1=C2CCC(C=CC([NH3+])(C3CC3)C1)C2,0,GDB MedChem
163959,CC#CCOCC(O)c1c[nH]cn1,1,GDB MedChem
190639,CC1(C)C=C(C#N)C2C3CCC3C=CC21,0,GDB MedChem
280208,C[NH2+]C1C=CC2(C1)[NH2+]CC2C(C)OC,0,GDB MedChem
380076,CC1(CCC(C[NH3+])CO)C[NH2+]C1,0,GDB MedChem
226301,C#CC1=CCC(CC)C12CCCCC2,1,GDB MedChem
51102,Cc1cc2cccc-2[nH]c1C(C)(C)CCC[NH3+],0,GDB MedChem
93323,CC1CC(C2=CCC(C)(C)C2[NH3+])[NH2+]1,0,GDB MedChem
277243,O=S1(=O)C=CCC2CC(CO)CC(C=C1)[NH2+]2,0,GDB MedChem
160215,CNC(Nc1ncc(NC(C)CO)n1C)=[NH+]C,0,GDB MedChem
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127340,C#Cc1csc(NC2CC[NH+](C)CC2)c1,0,GDB MedChem
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134142,[NH3+]CC1=CCCC2(C[NH3+])CCN2CC#C1,0,GDB MedChem
81860,CC1CNC(=O)OC12C[NH2+]CC1NC(=O)NC12,0,GDB MedChem
355231,NC(=O)C#CCC1(O)C[NH2+]C1CO,0,GDB MedChem
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388322,CC1(O)CC(=O)CC(NC=O)C1=C1COC1,0,GDB MedChem
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307212,CC(C)C1(O)C(C)C1C#N,1,GDB MedChem
573,C=CC1CC[NH2+]C(CCC)C1C=C,0,GDB MedChem
80875,CC#CCC1(C)C(C)C(OCCC)C1C,0,GDB MedChem
63260,C#CC1=C([O-])OC=CN(C)C=C(C)S1(=O)=O,0,GDB MedChem
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128228,CCC1CNC(=O)C=CNC(CC)C1C,0,GDB MedChem
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187749,CCN=c1oc2ccc(O)c-2c([O-])o1,0,GDB MedChem
170357,CCCCC(O)CC(C)(CC)C1CC(C)C1,0,GDB MedChem
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38328,N#CC1=C(C2CC2)CCC1(CO)CCCO,0,GDB MedChem
250681,[NH3+]C12CCCCC#CCNC1CC2O,0,GDB MedChem
249739,CC1CNC2C([NH3+])C2(C2CC2)O1,0,GDB MedChem
376939,C#CCC(=O)OCC(C)(NC(C)=O)C(C)(C)C,1,GDB MedChem
330450,C#CCC1[NH2+]C(CC)(CO)CCOCC1OC,0,GDB MedChem
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291087,O=C(C#CC1CC1)c1cn[nH]n1,1,GDB MedChem
182836,N#CCC(=O)N1CC(=O)C2C(O)C21,0,GDB MedChem
171208,CCCC(C)CC1C(CC)C(=O)N1C,1,GDB MedChem
323581,CNC1(C(N)C#N)CC(O)C=CCC1O,0,GDB MedChem
387754,C#CCC(C)C(=O)C1(O)CC(=NO)C1[NH2+]C,0,GDB MedChem
90255,CCC1CC(C)C1C#CC[NH2+]C,0,GDB MedChem
393753,CN=c1cc(C)oc(C)c1C12CC[NH+](CC1)C2,0,GDB MedChem
130693,C#CC(CC[NH3+])n1cc(C2C(N)C2[NH3+])nn1,0,GDB MedChem
327042,CCC[NH2+]CC(C)(C#N)C1COC1,0,GDB MedChem
251716,C#CC1CC(C#N)(CCC(=O)CCO)C1,1,GDB MedChem
170875,C#CC(C)CC1[NH2+]C(CC)(CC)C(C)CC1=O,0,GDB MedChem
301778,C=C1CNC(=O)NC1C([NH3+])COC,0,GDB MedChem
248577,N#CCCc1coc(=N)c(CO)c1,0,GDB MedChem
117015,CC([NH3+])C1C=CC2(C[NH+](C)CC2O)OC1=O,0,GDB MedChem
164891,Cc1cnc(OCCCC#N)o1,1,GDB MedChem
182832,C#CC1=CC=CCCC1C,1,GDB MedChem
92485,N#CCOC12CC(O)C1C2O,0,GDB MedChem
33408,C#CC1(C)CC([NH2+]C2CCCC2)C(C(C)C)C1,0,GDB MedChem
53131,N#CC1CC#CC[NH2+]CCCC([NH3+])C1,0,GDB MedChem
283607,CC1=C2C=CCC3CC3OC(C2)OC1,0,GDB MedChem
141416,CC1CC(C)(C2=CCN(C)C2=O)CO1,0,GDB MedChem
131205,C=C(CCCC)C(O)S(=O)(=O)C(C)O,0,GDB MedChem
94333,CCCC12CCC=CC1[NH+](C)C1CCC12,0,GDB MedChem
359844,CC1CC(C(C)C(CO)OC(N)=O)O1,0,GDB MedChem
191659,CCC#CC1C[NH2+]C(C)C(C(C)O)O1,0,GDB MedChem
216069,C#CC(=Cc1oncc1[O-])C(C)C,0,GDB MedChem
110391,OCC1CC2C[NH2+]CCCC12,0,GDB MedChem
67202,C#CC1=CC2=C(C)C(C)(C)C(=O)CC2C1,0,GDB MedChem
397316,Cc1cccc(C2CC(=O)N2)c1,1,GDB MedChem
263039,C#CC1=CC(C2CC2)C[NH2+]CC1,0,GDB MedChem
327147,CC1=C(C2=CCCC2)CCCC1[NH2+]CCO,0,GDB MedChem
138728,C#CC(C)(C)CC1(O)CCCCC(C)CCC1,1,GDB MedChem
368369,C#CC1=CCOC(C)C2C(OC)C12O,0,GDB MedChem
5924,COC(C)C1CC1C(C)(CCCO)OC,0,GDB MedChem
285167,CCCN1C(C)C(CO)(CO)C1C(C)=NO,0,GDB MedChem
286780,C[NH2+]C1CC(C)(C)[NH+](C)CCN(CC#N)C1C,0,GDB MedChem
123365,OCC1CCC[NH2+]CCOC1C1CC1,0,GDB MedChem
118292,CC1(C)CC=C(C(=O)[O-])C1,1,GDB MedChem
307438,COc1oc(CCO)nc1OC(C)C,0,GDB MedChem
232857,C=C1C2C([NH3+])CN(C1C#N)C2CC,0,GDB MedChem
537,CCC1CC2(C#CC(=O)CC(O)CC=C2)C1,0,GDB MedChem
218641,C=C1C=CC2CCCC3(O)CC1C23,1,GDB MedChem
359570,[NH3+]CCc1cncnc1C1(C[NH3+])COC1,0,GDB MedChem
119534,C=CC12C3C=C(C[NH3+])C1CC2CC3,0,GDB MedChem
263617,Cc1ccc(OC2CC(C)C(C)O2)nc1,1,GDB MedChem
340349,CC=CC1C[NH+](C(C)C2CC2C)C1,0,GDB MedChem
295324,C1=CC2C=CCC2C2C=CCC2OCC1,0,GDB MedChem
143573,C#CC1=C(CO)C(CO)CC1,0,GDB MedChem
202297,C=C1CC([NH3+])C2CC2C2=CCCC12,0,GDB MedChem
286416,CCC(C(=O)CC(C)C)C(C)C,1,GDB MedChem
380635,C=C(C)C1C(=O)CC=C1C(C)(C)C,1,GDB MedChem
164153,CC(NC(=O)C(N)=O)C(=O)C1CCC1O,1,GDB MedChem
204977,C[NH2+]C(CC(C)C)C(=O)C(C)=O,0,GDB MedChem
116165,CCC1=CCC(C)CC(c2cnon2)=CC1,0,GDB MedChem
213885,C=CC1[NH2+]C(C)CC(C)=C(C)C1C,0,GDB MedChem
13731,C#CC1=C2CC(C)=C(C)COC(CC1)C2,0,GDB MedChem
213849,CCC1C=CCCc2ncoc2CC1,1,GDB MedChem
163938,CC(C[NH2+]CC1=CC[NH2+]C1)NC=O,0,GDB MedChem
32781,CCC12C=C3C=CCC3C=CCCC1C2,0,GDB MedChem
149251,[NH3+]CC1OC2C=CC=CN(C=O)C21,0,GDB MedChem
271686,N#CC1CCC1OCCO,1,GDB MedChem
165443,C[NH2+]C12C=C(C=CC=CC=C1C1CC1)CC2,0,GDB MedChem
163715,CC(C)C1(C)C(C)C[NH2+]C1C,0,GDB MedChem
128348,CCC(C)([NH3+])CC1C2CC[NH2+]C21,0,GDB MedChem
262506,CC1CCC1=C1CC=CC=CCC(=NO)C1,0,GDB MedChem
152647,CC(=O)C1C2CC(O)CC1(O)CC2=O,0,GDB MedChem
275786,CCN(CC(C)(O)C#N)C(CO)C(C)(C)O,1,GDB MedChem
103625,[NH3+]CC1C=CC(O)(CO)C1[NH3+],0,GDB MedChem
175092,O=C([O-])C1=C2CCOC2COCC2C[NH2+]C12,0,GDB MedChem
352476,C[NH2+]C1CC([NH2+]C)C(N)C1N,0,GDB MedChem
285931,CC[NH+]1CCCC(C(C)(C)n2ccc(C)c2)C1,0,GDB MedChem
86916,C[NH2+]CC1CCC2C(CCCC(=O)C2C)CO1,0,GDB MedChem
142719,CCC(C)([NH3+])CC1(O)CNC1C(C)[NH3+],0,GDB MedChem
252785,CC#CCC1=CCC2([NH2+]C)C=CC1C2O,0,GDB MedChem
11951,CNC1(C#N)CC2C(C[NH3+])C2C1,0,GDB MedChem
23243,C=CC1=C(C#N)C(=C)C(CC)=CC1,0,GDB MedChem
302027,O=C1CCC2C(=CCC23CC3)N1,0,GDB MedChem
331073,CN=C(N)c1ocnc1C=CC[NH3+],0,GDB MedChem
216692,O=CN1C=CC=C2CCCN(CC1)C(=O)C2,0,GDB MedChem
320156,C#CC1CC[NH+]2CCCCCCC(C2)C(=O)C1,0,GDB MedChem
357818,C#CCCCCCC(C)(C)Cc1ccccn1,1,GDB MedChem
195959,C[NH2+]C1(C)CC(C)=C(C)C1C(C)C,0,GDB MedChem
69743,CCCOC1(CC)CC=C(C)C1,1,GDB MedChem
331875,C=CCOCC1([NH3+])C2OCC(O)C21,0,GDB MedChem
128198,C#CC(C[NH3+])(NCCO)C(C)[NH+]=C(N)N,0,GDB MedChem
206082,C#CCC1[NH2+]CCC=C1C(C)C(C)C1CC1,0,GDB MedChem
183099,Cc1cc(N)c(C2CNCC(=O)C(CO)O2)[nH]1,0,GDB MedChem
151516,C=C1CC2(CC=C3CCCC=C32)C1,0,GDB MedChem
66425,C#CC1CCC=C1COCC(C)CC[NH3+],0,GDB MedChem
178621,N#CC(CC[NH3+])C1C=CC2(O)CC12,0,GDB MedChem
229926,C#CC1=CCC2=C(CCC2)C(=O)C12CC2,0,GDB MedChem
229949,C[NH+](C)C1CCC12C(=O)C=CC1CC12,0,GDB MedChem
67187,CC1=CC2CCC(C#N)(CC1)C2[NH2+]C1CC1,0,GDB MedChem
133452,CCC1(C)CC2=CC[NH2+]CC2C1,0,GDB MedChem
301081,CCC1C#CC=CCCC2C1[NH2+]CC21CC1,0,GDB MedChem
182693,CC1=C(C)C(O)CC=CCOC1,0,GDB MedChem
66426,CC1C2[NH2+]CCOCC(N)C12NC=O,0,GDB MedChem
66410,C#CCNc1cc[nH+]c(C)c1,0,GDB MedChem
27592,CC(C)C1=CCC=CC[NH2+]C12CCC2,0,GDB MedChem
350616,C#CCC1CC12C=C1C=C(CCC)CC1C2,0,GDB MedChem
394685,C#CC12OC(=O)CC1C(C)C2C,1,GDB MedChem
123629,CCC1CC2(C(=O)C=C1C#N)C(C)C2C,0,GDB MedChem
175487,C[NH+]1CCC(CO)C=C2C(OCC[NH3+])CC21,0,GDB MedChem
127822,C=CC(C#CC(=O)CC)=CC(=C)C,1,GDB MedChem
239667,CCCC(C)(C)C1CCC(C)(CCC)[NH+](C)C1,0,GDB MedChem
361489,CC1C(=CC[NH3+])CC1CCC(N)=O,0,GDB MedChem
361059,C1=C2CCC2(n2cccc2)CC1,0,GDB MedChem
67117,CCC1C=CC23C[NH2+]CCC2CC3=CC1C,0,GDB MedChem
375345,C#CCC1=C2C=CCC2C=CC(C#N)=C1,0,GDB MedChem
81212,NC(=O)C(=O)C12CCC1=CCO2,0,GDB MedChem
223839,CCC1(Cc2ccns2)C([NH3+])CC(C)C1C[NH3+],0,GDB MedChem
324405,O=C1C#CCNC2CC23C[NH2+]C1C3,0,GDB MedChem
295124,CCC1CC=C(C)C(C)(C)C[NH+](C)C1,0,GDB MedChem
161560,C#CCc1cc2c(s1)C(CC)(CC)CCCC2,0,GDB MedChem
141279,OC1CC2CC3[NH2+]CC3=CCC12,0,GDB MedChem
308094,Cc1[nH]c(N(CC[NH3+])CC(N)=O)cc1O,0,GDB MedChem
53577,COCCC(O)C1(N(C)CC#N)CC1,1,GDB MedChem
40808,C#CC(OC)C1CC([NH3+])C1,0,GDB MedChem
6964,CCC(O)(CCO)CC([NH3+])c1c[nH]c(C)c1,0,GDB MedChem
245455,CC([NH2+]CCC(=O)C=CN)C(N)=O,0,GDB MedChem
195104,CCC#CC1([NH3+])C=CCOC1,0,GDB MedChem
53630,[NH3+]CCCC1COCCC2C(O)CCCC12,0,GDB MedChem
360056,CC1=CC(=O)OC2C1=C(C[NH3+])C(C)C2C,0,GDB MedChem
67219,CC1C2OCC2C1C1CC1,0,GDB MedChem
55908,CC1CNC1=C(C(=O)[O-])C1(O)CC1,0,GDB MedChem
306750,OC(c1ccco1)c1scnc1C1CCCC1,1,GDB MedChem
63519,C[NH2+]C12CC1CC(=O)N(C)CCC2O,0,GDB MedChem
246093,CC1CC2=CC(NC3CC3)C(O)C2[NH2+]1,0,GDB MedChem
213539,CC([NH3+])C1NC2CCOCOC21,0,GDB MedChem
268388,CC(C(=O)[O-])C1=CC[NH2+]C1(C)CO,0,GDB MedChem
136336,CCCNC(=O)C1C([NH3+])C12CCOC2C,0,GDB MedChem
14607,CCC1=CC(=NO)C2CC=C(C#CC#N)CC12,0,GDB MedChem
136412,CC1OC(=O)NC1=CC1(O)CC1[NH3+],0,GDB MedChem
66914,[NH3+]CCCCC1CC2CC2C12CC2,0,GDB MedChem
88871,CC1=C2COC(C)C=C2CCC1,0,GDB MedChem
224363,CC#CC1C=CC(CC(C)=O)([NH2+]C)C1CC,0,GDB MedChem
253835,CC1=CCC([NH2+]CCCCO)CC=C1C[NH3+],0,GDB MedChem
19066,N#CC(O)c1c(F)c(O)cc2c1C(N)CC2[NH3+],0,GDB MedChem
5935,C=C1CN(C(C)CNC=O)C(=[NH2+])N1,0,GDB MedChem
292494,C[NH2+]C1CC12OC(C)OCC2C,0,GDB MedChem
85292,C#CC1(C)C(O)CC1C(C)(C)C(C)[NH3+],0,GDB MedChem
331861,CC1CC(C)([NH3+])CC1C(O)CNc1cocn1,0,GDB MedChem
377479,C#CCC1NC(C)(C(CC)CC)CC(O)C1=O,0,GDB MedChem
73916,CC1=CCC=C2CC3C(=O)C=CCC23C1,0,GDB MedChem
140549,CC(C)(CO)C[NH2+]CC1C=CC=CC(=O)C1,0,GDB MedChem
52198,[NH3+]C1COC2CNC(=O)C(C2)C1O,0,GDB MedChem
195904,C[NH2+]C1CN(C2(C3C([NH3+])C3O)CC2)C1,0,GDB MedChem
86209,C#CC(C#N)c1nsc([O-])c1C(=O)CC,0,GDB MedChem
287091,C#Cc1oc(C)c(CC[NH2+]C)c1C,0,GDB MedChem
210000,CCC1CC(=O)C=CC1(CC)C(C)(C)O,0,GDB MedChem
135731,CC1=CC(OC2C(C)C2O)CC1,0,GDB MedChem
220796,CCC(C[NH+](C)C)c1ncc(OC)s1,0,GDB MedChem
235750,N#CC1=CC2=CCC(O)C(C(=O)NC1)C2=NO,0,GDB MedChem
253061,C#CCCCc1cc2c(o1)CC1OCCC1C2,0,GDB MedChem
115848,CC(=O)C1=CC2(CO)CC2CC(C)C1,0,GDB MedChem
96369,CCCCCC1CCC[NH2+]CC(C)OC1,0,GDB MedChem
167002,COC(C)C1=CCC2OCCC2C1[NH3+],0,GDB MedChem
105447,C#CCN=c1cc([O-])sc[nH+]1,0,GDB MedChem
279609,NC(=O)C1OC2OCCCNC2=CC1=O,0,GDB MedChem
91400,CC(=O)C1=CC2(C)OCCOC2CC1O,0,GDB MedChem
183769,C#CCc1ccoc(=O)c1C#N,1,GDB MedChem
376854,C#CCC1C=CC=CC([NH3+])C(C[NH3+])C1C,0,GDB MedChem
113117,C#CC1CCC12OC1CCC=CCC2C1,0,GDB MedChem
50172,CCC1(C)C=CC=CC2C=C1CC2[NH2+]C,0,GDB MedChem
290369,CC(CO)C1=CC(O)CC2CC12,0,GDB MedChem
137687,O=c1ocnc2c1C#CCCCC=C2,0,GDB MedChem
114123,CCC1OC2(CC2)C([NH3+])C2=C1CC(O)CC2,0,GDB MedChem
261106,C#CC1=CCCCC(O)C2CNC=C2C1=O,0,GDB MedChem
267846,N#CCC1NC(=O)C1CO,1,GDB MedChem
191593,COCC1C([NH3+])C12CCC2[NH3+],0,GDB MedChem
280412,CC(C(=O)C(=O)[O-])N(C)C1CN(C)C1,0,GDB MedChem
285486,COC1(C)CCNc2c(O)ccc(C)c21,1,GDB MedChem
57080,CC1=CC(=O)CC2=CCCC2(C)CN1,0,GDB MedChem
282996,C#CC(O)C12CCC(=CC3CC3OC1)C2,0,GDB MedChem
187098,CC1=CC2=CCCC2C1C1=CC(O)CC1,0,GDB MedChem
297963,C=C1C(C(C)=O)N(C(N)=[NH2+])C1(C)C,0,GDB MedChem
144199,CCC(C)OC1(COC)CC[NH2+]C1,1,GDB MedChem
136392,CNc1cc(C#N)c2c(CO)cc(O)nc2c1,1,GDB MedChem
146225,CCCCC1C(CC)CC(CN(C)C=O)[NH+]1C,0,GDB MedChem
352036,CC(CCC(C)(C)C)C1=CCC(O)C(=O)C1,0,GDB MedChem
169958,Cc1ccc(Cl)c2c1C(C)(C(C)[NH+](C)C)CC2,0,GDB MedChem
78952,COC1C(C)CC12CC2C,1,GDB MedChem
139250,C[NH2+]CC(C)C1(O)C(C)CCC1c1c[nH]cn1,0,GDB MedChem
116283,C=CC(C)C1C=CC(C)C1([NH3+])C[NH3+],0,GDB MedChem
140545,CCC(CC)[NH+](C)C1CCC1,0,GDB MedChem
18510,CCC1C[NH2+]C1CC1(O)C(C)C1C,0,GDB MedChem
163718,CCC#Cc1cc(N)nc(=O)[nH]1,1,GDB MedChem
283180,COC1CNC(=O)C=C(N)C1(C)C,1,GDB MedChem
32975,C#CC1=CC2(CC1)CC(O)CC2=C,0,GDB MedChem
22381,C[NH2+]C1C2OC(=O)C(=O)C12,0,GDB MedChem
244262,CCC#Cc1occ2c1C=CCC=CC2[NH3+],0,GDB MedChem
116667,CCC(C)(C)[NH2+]C1(C)C2CCC(C2=O)C1C,0,GDB MedChem
228987,CC1NC(C#N)C2=CCC(=O)OCC21,0,GDB MedChem
373579,CC1OCC(NC(C)(C[NH3+])CO)C(=O)O1,0,GDB MedChem
286073,CCCC1(CC)CC1C(C)=O,1,GDB MedChem
89582,CC1=CC2C3=C(C=CC1)C(C)CC3[NH+]2C,0,GDB MedChem
117784,Cc1cc(-n2cc(CC(N)=O)cn2)nsc1=O,0,GDB MedChem
14972,CC1(C#N)CC(O)C(O)C1=O,1,GDB MedChem
248566,CCC(O)C(O)c1[nH]c(C[NH3+])c(C)c(=[NH2+])c1O,0,GDB MedChem
34046,CCCN1CCCCNC(=O)C=CCC1=O,1,GDB MedChem
32350,CC1(CC#N)CC#CCCC2CC=C1C2[NH3+],0,GDB MedChem
226121,CC1C(O)C(=O)C(=O)C2CC21,1,GDB MedChem
129088,CC1CCC[NH+](C)C2(C)CCC([NH3+])C(CC1)C2,0,GDB MedChem
45445,CC(COC1CC1C)NC=O,1,GDB MedChem
240891,CCOCCC1C(=O)C=CC=CC1[NH2+]C,0,GDB MedChem
184425,COC(CO)c1nc(C)cs1,1,GDB MedChem
319732,C#CCC1CC2OC(CO1)C(C)=C2C,0,GDB MedChem
93894,CC12CCC1C1=C(CCC1O)C2,0,GDB MedChem
189694,C[NH2+]C1C#CCCS(=O)(=O)C2NCC2C=CC1,0,GDB MedChem
25929,CCC1CC(C)C(c2[nH]cc(C)c2C(C)C)[NH2+]1,0,GDB MedChem
15385,N#CC(C(N)=O)C12CCCOC1CC2[NH3+],0,GDB MedChem
59385,CC(C(=O)[O-])C1=CC2CCC1C2,0,GDB MedChem
124439,C#CC1C=C2C(C)CCOC2C2(CC2)C1C,0,GDB MedChem
50800,[NH2+]=C1NC(CCO)CC2(CC2)N1,0,GDB MedChem
119474,C#CCN=C1NC(CO)=CC(C#N)N1,0,GDB MedChem
366079,[NH3+]CCCC1CNC(=O)N1,0,GDB MedChem
191856,CCC(=O)C12C=CCC1C2,1,GDB MedChem
331866,COC(C)(C)C[NH2+]C(C)C,0,GDB MedChem
22109,CC1(CC2COC2)CC2OC1C(=O)C2=O,0,GDB MedChem
134160,CC1=CC2C(C#N)C2COC(C)(C)C1,0,GDB MedChem
225730,[NH3+]C1CCC([NH3+])(CO)CC1O,0,GDB MedChem
205009,CC1=CC(C#N)OC2C[NH2+]C1C2O,0,GDB MedChem
132942,CC1=CC(C)CCN(c2cnn[nH]2)C1,1,GDB MedChem
73085,C#CCC1=CC2(CC2)[NH2+]CC1,0,GDB MedChem
243305,CC1COC(=O)C2C(=NO)CC1N2C,0,GDB MedChem
149103,CCN1CC(CC)([NH2+]C)C(O)C2CC21,0,GDB MedChem
200280,C[NH2+]C1(CCC(C)(C)C)CC(C(C)C)CC1C,0,GDB MedChem
76177,CC(C)C1(O)C(=O)COC1=O,1,GDB MedChem
357240,CCCC1=C2C=C(C3CC3)CC2CC1C,0,GDB MedChem
111365,C#CC([NH3+])C12CC1C1=CC=CC=CC2C=C1,0,GDB MedChem
202248,C[NH2+]C1CCC2(C[NH+](C)CCC2C)C1C,0,GDB MedChem
327665,COCC1(C[NH3+])C=CC2C([NH2+]CC[NH3+])C21,0,GDB MedChem
160233,CCC1C(C)C1C(=O)NC,1,GDB MedChem
233704,COC1(CCC[NH3+])C([NH3+])CC1O,0,GDB MedChem
383544,Cc1c[nH]c(CC(=O)CO)c1O,1,GDB MedChem
250835,COCC[NH+]1C(C)C2C=CC1C2C(C)C,0,GDB MedChem
72124,CCCC(CC)c1nn(C)c(=[NH2+])nc1C,0,GDB MedChem
177969,N#CC1CN2CC3CCC2C13,0,GDB MedChem
280913,CC1C(=C2CCCC2)CC2CC21O,0,GDB MedChem
104562,O=C(Cn1ccnn1)OCCC(O)CCCO,1,GDB MedChem
226840,C=C1CC(C)C1(O)C(=O)C(C)CC,1,GDB MedChem
55818,CC(C)C1[NH2+]CCNC(=O)C2NCC21,0,GDB MedChem
133424,CCN1C=C2CC(C[NH3+])C(C)=CC2CC1=O,0,GDB MedChem
59535,CC(=NO)C1[NH2+]CC1CC(C)(C)CC(N)=O,0,GDB MedChem
197998,CC1C=CCC2CCC(C)C12C,1,GDB MedChem
271668,CC1C(N2CCC2)=CC(=O)N1C,1,GDB MedChem
48982,Cc1cc2ccocc-2n1,0,GDB MedChem
92632,CC(=O)CC12C[NH2+]C1C(=O)N2,0,GDB MedChem
10150,COCC1=C2C(C)CC2OCC1,0,GDB MedChem
306555,CC(=O)c1ccn(CC2COCO2)c1,1,GDB MedChem
99273,C#CC1COCC=C(CO)C1,0,GDB MedChem
121562,CC1=CC(=C2C=CC([NH3+])C2)C[NH2+]CCC1,0,GDB MedChem
226080,C#CCc1cc2n(c1CC(C)C)CCC2,1,GDB MedChem
296770,C#CCCCCC1(C(C)[NH2+]C)C2CCC1CC2,0,GDB MedChem
204129,C[NH2+]C1C(=O)NCC(COC)=CC1O,0,GDB MedChem
369785,CCCC1=C(C)C(C)[NH+](CC)CCC1,0,GDB MedChem
176360,CNC(=O)C(C#N)(CN)C(C)(O)C(O)CC[NH3+],0,GDB MedChem
136855,CCNc1cc(NC(=NC)NCC#N)oc1C,1,GDB MedChem
87224,CCC1CCCCC(C)(C)[NH2+]C1C(C)O,0,GDB MedChem
369205,CC([NH3+])C1C([NH3+])C1C1CC1,0,GDB MedChem
65140,COc1cc(CC(CO)CC(C)C)coc1=N,0,GDB MedChem
94070,CC1(C)CC=C(CCO)NC(=O)C1[NH3+],0,GDB MedChem
31685,C#CCC1([NH2+]C2CC2O)CC1,0,GDB MedChem
33636,CC1C=CC2([NH3+])C=CC(C#CC3CC3)CC12,0,GDB MedChem
271925,C#CC(C)C1(C)C[NH2+]C(C)CCC=C1C,0,GDB MedChem
360024,C#CC(C=C)C1COC(C)C=C1C,0,GDB MedChem
162016,C=CC(C)=C(C)C(C(C)=O)C1CC1,0,GDB MedChem
37869,N#CC1C2C[NH2+]CC(CO)NC12,0,GDB MedChem
314317,CC(C)C[NH2+]C1(CN)CC(O)C1,0,GDB MedChem
297705,[NH3+]CC1(COCCCc2ccno2)CC1,0,GDB MedChem
125457,C#CCCCCC(O)C(C)C(O)CC(C)(C)C,1,GDB MedChem
308040,C=C1CC(=O)C2C1C2(C)C(C)[NH2+]C,0,GDB MedChem
245666,CCC(N)C1C2C=CC[NH+]1CC2,0,GDB MedChem
237624,O=C1CC2(C(=O)CO)CC2N1,0,GDB MedChem
75719,NC(=O)c1cc[nH]c1C(=O)CCCCO,1,GDB MedChem
215113,CCC(NC(N)=[NH2+])C(O)CCOC,0,GDB MedChem
398286,C=CN(C=O)C(CC(=C)C)C(C)C,1,GDB MedChem
211520,CN1CCC12C[NH2+]C(CN)C2CO,0,GDB MedChem
295077,C=CC1COC1c1cscc1CC,1,GDB MedChem
142976,C#CCc1sccc1OCC,1,GDB MedChem
131206,C=C1CCC(C(=C)C2CCCC2)C1,1,GDB MedChem
308077,N#CC1NC2C=CC(CO)OC12,0,GDB MedChem
306952,[NH3+]CC1NCC([NH3+])CC2(COC2)CC1O,0,GDB MedChem
177916,CC(=O)C1(C)CCC(=O)C1,1,GDB MedChem
102846,CC1C(CC[NH3+])NC(C[NH3+])C1(N)C[NH3+],0,GDB MedChem
248591,CC1=C(C)C2(CC2)[NH2+]CCN(C=O)C1,0,GDB MedChem
122306,NC(=[NH2+])N1C=CCCCCCC=C1,0,GDB MedChem
275055,C=C1C=CC(C(N)C#N)NCC1[NH3+],0,GDB MedChem
52924,COC1CC=CC2CC2CNc2c[nH]cc21,1,GDB MedChem
189534,CCC(CC1CC1O)CS(=O)(=O)NC,0,GDB MedChem
321135,CC(=O)CNC(=O)CCc1[nH]c(O)cc1N,0,GDB MedChem
149523,CCN(C)C(C#N)C(N)=O,1,GDB MedChem
282051,N#CC1C2COC2C1C(=O)[O-],0,GDB MedChem
250470,COC1(CO)C=CC(=O)O1,1,GDB MedChem
28823,CC1[NH+](C)CC(C#N)CCCCCOC1(C)C,0,GDB MedChem
63282,C#CC1(CC2=CC=CC=CC2)C=CCC1,0,GDB MedChem
237544,C[NH2+]C1(C(C)CO)CCC1C,0,GDB MedChem
42868,CC1C2CC=CCC1C2=C1CC[NH2+]C1,0,GDB MedChem
343168,CC1C[NH2+]CC2(C)CC=CCC2C1O,0,GDB MedChem
220021,CCC(OC1(C)CC1CO)C(O)C#N,0,GDB MedChem
312597,CCC(C)(C)CC1(CO)CC(C)C(C)CC1C,0,GDB MedChem
87285,C#CCC1=C(C[NH3+])C[NH2+]C1,0,GDB MedChem
333274,C#CC1C(NC(=[NH2+])NC)C1([NH3+])CCC(C)C,0,GDB MedChem
131182,COC1CC(c2cc[nH]c2C)CC12CC2,1,GDB MedChem
27607,C#CC1(C)OC2CCCC2O1,1,GDB MedChem
252368,O=C(CO)S(=O)(=O)C1CCC2CCC21,0,GDB MedChem
318476,CC#Cc1scc(N)c1OCC,1,GDB MedChem
6365,CC1=CNC(=O)C(O)CC1,0,GDB MedChem
366696,C1#CCc2cc(cnn2)CC2(CC1)CC2,0,GDB MedChem
307352,CCCCC1(O)C=CC2C(OC)CC21,1,GDB MedChem
221511,[NH3+]CC1(CNC=O)CCCOC1,1,GDB MedChem
49009,C#CCCCC(C)OCC(C)(C)C(C)(C)CC,1,GDB MedChem
211805,CC1=CC(C)C[NH2+]C2(CCC2)C1,0,GDB MedChem
142651,CCC1(C)CCC([NH3+])C2C([NH3+])CN21,0,GDB MedChem
48918,C=CC(NC)C1(C#N)CC(O)CN1,0,GDB MedChem
161846,C[NH2+]C1(C)CC1C(C[NH3+])CC[NH3+],0,GDB MedChem
192089,CC1CC2CC(C(N)C[NH3+])[NH+]12,0,GDB MedChem
192644,CC12COC1C(=O)C(C=N[O-])OCC2C#N,0,GDB MedChem
169719,C#CC1CCC1c1cc(=[NH2+])[nH]cn1,0,GDB MedChem
320057,CC#CC([NH3+])C1(O)CC1CC[NH3+],0,GDB MedChem
127365,CC(C)(C)Cc1c(N)ccn1C1CCCCC1,0,GDB MedChem
313164,CCCc1oc2c(NCC)c(C)ccc2c1N,1,GDB MedChem
365984,O=c1cc(N2CCOCC23COC3)cc[nH]1,1,GDB MedChem
178170,CC(=NO)C1=C(N)C=CC2CC1(C)CCC2=O,0,GDB MedChem
141108,CC1C=CC=Cc2ccccc2C[NH2+]1,0,GDB MedChem
269928,CCCC1COCC(C2(C[NH2+]C)CCN2)N1,0,GDB MedChem
339500,CC1(CC([NH3+])c2cn[nH]c2)CC1,0,GDB MedChem
369455,C#CC1=CC2=CC=C(C)COCCC2CC1,0,GDB MedChem
276951,CCOCc1cnsc1C,1,GDB MedChem
253367,CCCN(C)Cc1coc([O-])n1,0,GDB MedChem
354944,C#CCC1=CCCC12CC(COCCC)C2,0,GDB MedChem
82726,C#CCC1=CC[NH2+]CC1CC,0,GDB MedChem
396298,CCCCC(C)(C#N)c1coc(C2CC2)n1,1,GDB MedChem
233765,Cc1cc2nsc3ccc([O-])c(F)c3c-2c1C,0,GDB MedChem
224912,CC(O)(C#N)C1=CCNC(=[NH+]C2CC2)N1,0,GDB MedChem
91455,C=CC(=C1CCC1C)C(C)C(=O)[O-],0,GDB MedChem
18493,CCC(O)(CC)C1=C(C(C)[NH3+])CC2CC12[NH3+],0,GDB MedChem
245211,CC1=CC(O)C(=O)N2CCCC2C1[NH3+],0,GDB MedChem
10886,C#CS(=O)(=O)NC(CC)CC,1,GDB MedChem
155377,NC(=O)N1CCCC2C(CCNC=O)CCC21,0,GDB MedChem
301316,CC1CC1C1(S(=O)(=O)C#CCO)CC=CC1,0,GDB MedChem
161855,C[NH2+]CCOc1csc(C)c1[O-],0,GDB MedChem
239013,C(#CC1=CC2[NH2+]CC2C1)C1=CCCCOC1,0,GDB MedChem
277229,CC1CC([NH3+])CCC1([NH3+])C[NH3+],0,GDB MedChem
352283,CC([NH3+])C1=C(Cc2nccs2)COC1,0,GDB MedChem
110165,CC#CCC1[NH2+]C2C1C2(C)C,0,GDB MedChem
368381,CCCC1[NH2+]C2C1CC2(C)C,0,GDB MedChem
245172,CCC1COC(C[NH3+])(CO)O1,1,GDB MedChem
66873,CC1=CCC2CC(C)(C)C1O2,1,GDB MedChem
226643,COC1CC1(C[NH3+])OCC#N,0,GDB MedChem
60218,CC1=CC2[NH2+]CC2C(C)C(O)CC1,0,GDB MedChem
255786,C#CC1=Cc2ccsc2Cc2ccccc21,0,GDB MedChem
143586,C#CC1=C(C)C=CCc2nc(=N)scc21,0,GDB MedChem
106290,CNC1(C#CCO)CC[NH+](CC2CC2)CC1,0,GDB MedChem
116110,C[NH+]1C(CC(C)(C)C)CC2=CCCC21C,0,GDB MedChem
210005,CC(C)CC1Cc2nc(O)ncc2C1CCO,0,GDB MedChem
149243,CCc1cc(C)cc(C)c1C#N,1,GDB MedChem
308021,CNc1ccnc(C(N)C[NH3+])c1,0,GDB MedChem
369831,CC1CCCNCS(=O)(=O)C=CC(=O)OC1,0,GDB MedChem
82453,C#CC1CC2=CC(C)(CC(C)C1CO)OC2,0,GDB MedChem
286687,C#CC1=CC(O)C(=CCC#N)C1C,0,GDB MedChem
239017,Cc1c(O)cc(Cc2ncsc2[O-])cc1O,0,GDB MedChem
117054,Cc1c(OC(CCO)C(C)C)ncoc1=N,0,GDB MedChem
285022,CCc1cocc1C1CC1C,1,GDB MedChem
265772,CCC1C(=O)OC1CCCC(C)(C)O,1,GDB MedChem
113158,C1CCC2=C(C1)CCC([NH2+]C1CC1)CC2,0,GDB MedChem
36646,Cc1ccc2c3c(ccc(C)c13)COCC2,1,GDB MedChem
10550,C[NH+]=C(Nc1cn(C)c(C)c1C)N(C)C,0,GDB MedChem
35250,CCC(=NO)C1CC2C1[NH+](C(C)C)CC2(C)O,0,GDB MedChem
373317,O=C1NCC(C#CCO)C2OCC12,0,GDB MedChem
43832,COC1C(C[NH3+])C1(C)OC,0,GDB MedChem
253093,C[NH2+]C1CCc2c(c[nH]c2C(C)C)C1,0,GDB MedChem
97646,C[NH2+]CCCn1ccn(C)c1=O,1,GDB MedChem
43892,O=C1CC2(CN1)OC1OCC[NH2+]CC1CC2=O,0,GDB MedChem
394808,CCc1oc(=NC2COC2CC)ncc1C,0,GDB MedChem
247880,C#CCOCCc1cccc(C)c1C,1,GDB MedChem
91459,N#CC(=O)C1NCC2C(O)C[NH2+]C12,0,GDB MedChem
267271,CC1C[NH2+]C2C(=NO)CCC12,0,GDB MedChem
292090,OCC1C=C2CCCCC#CCC=C2CC1,0,GDB MedChem
162155,CC1=CC2COC2C(O)C=C1,0,GDB MedChem
239721,C1OCC2=C3C(CC2)CC3O1,0,GDB MedChem
210928,C[NH2+]CC1([NH3+])CCC2CC21,0,GDB MedChem
331075,Cc1cc(CO)n(C)c1CC(C)(C)C(C)(C)C,1,GDB MedChem
201218,O=C1CNC2CC2OCC2CC12,1,GDB MedChem
110125,CC(C=NO)C1COCC2CC2OC(=O)C1,0,GDB MedChem
280365,C#CC1C=C(C)C=CC(C)C1C([NH3+])C1CC1,0,GDB MedChem
390382,CC#CCC1CC2(CCC[NH2+]2)C1,1,GDB MedChem
282070,Cn1ccnc(OCC2CC2)c1=O,1,GDB MedChem
130736,CC1C=C(C(F)(F)F)C(C)C(C#N)C1,0,GDB MedChem
118809,CCCC1C2OCCC(O)C12,1,GDB MedChem
212482,O=CN(C=O)C(=O)C1C2C=CC1OC2,0,GDB MedChem
65161,CCc1oc(C)nc1C1=NCCN1C1CC1,1,GDB MedChem
138286,C#CC(N)(C#N)C1(C)COC(CCC)C1,0,GDB MedChem
176030,C#CC1C=CNC(=O)NC1,0,GDB MedChem
247941,CC1=C2CCC[NH2+]CCN(CC1=O)C2,0,GDB MedChem
241199,COC12C#CC=CCC=CC(C1)OCC2,0,GDB MedChem
123982,CC#CCC1(O)CC1CCO,1,GDB MedChem
334892,[NH3+]CC1CC[NH+](C(C(=O)[O-])C2CCC2)C1,0,GDB MedChem
332304,CCc1c(F)ccc(C(C)(C)CO)c1C(C)O,1,GDB MedChem
389017,O=C1NCC1C1(CO)CC[NH2+]CC1,0,GDB MedChem
267834,CC(C)C(COC1(C)CC1)C(C)(C)[NH3+],1,GDB MedChem
144020,C#CC(=C)C=CC1(C[NH2+]C)C[NH2+]C1,0,GDB MedChem
8007,C#CC(C)(C)C1C2CCCC1(C[NH2+]C)OCC2,0,GDB MedChem
192692,CCCCC(C)(O)C(C)(C[NH3+])c1[nH]cnc1C,0,GDB MedChem
183572,CCCOC12C3=CCC1=C(C)CC2C3,0,GDB MedChem
325965,Cc1ncc(O)nc1OC(C)(C)C(=O)[O-],0,GDB MedChem
50712,C#CCC1C=CC(C#N)C12CC2,1,GDB MedChem
22377,CC1CCC2[NH2+]CC(C)(C)C=C12,0,GDB MedChem
222289,OC1CCC2(CC2)C2CCCOC2C1O,0,GDB MedChem
366356,C#Cc1cc(NC(N)=O)cc2cc(O)ccc12,1,GDB MedChem
14420,CCC1C2CC(C)=C(C[NH3+])C1CC=C2C,0,GDB MedChem
239609,N#CC1=CC2(CC2)OCOC(=O)C#C1,0,GDB MedChem
18179,CC#CC(CC1CC[NH+]1CCO)=NO,0,GDB MedChem
30494,C#CC(C)(C)Cc1cc(C)c2cc(C)csc1-2,0,GDB MedChem
313269,COC1CC2(C(C)C)C(=O)C=CC12,1,GDB MedChem
39358,C#Cc1c(C)cc(C)c2c1C(C)(C)CC([NH3+])C2,0,GDB MedChem
32845,CC1=CCC2=CC(=O)N(C=C1)S(=O)(=O)CC2,0,GDB MedChem
129659,CCC(C)(CO)c1cc(=O)nns1,0,GDB MedChem
297744,C#CCC1OCCC12C(=O)CC2C#N,0,GDB MedChem
353612,CC1=CC2C(C)C2C([NH3+])CC#CC1,0,GDB MedChem
186367,C[NH2+]C1CC1C(CO)CC#N,0,GDB MedChem
194350,C#CC1=C(C2CC[NH+]2C)C(=O)CCC=C1,0,GDB MedChem
344449,N#CC1(O)CC(O)C=CC([NH3+])C1N,0,GDB MedChem
191844,CCC(OCc1[nH]ncc1C[NH3+])C(C)C,0,GDB MedChem
192441,C#Cc1c(N)c(CC)n(CC)c1CCC(C)C,0,GDB MedChem
58156,C=CN(Cc1cc[nH]n1)C(=O)C#N,1,GDB MedChem
15025,CC#CC1=CC(O)C(C)S1(=O)=O,0,GDB MedChem
178986,C=CC(=O)C(C=CCS(N)(=O)=O)=CC,1,GDB MedChem
303160,NC(=O)C1CC(C2CCC2[NH3+])O1,0,GDB MedChem
275029,CC1C2C=C3CC[NH2+]CCC3C12C,0,GDB MedChem
236107,Cc1nc[nH]c1C1OCCOC1=O,1,GDB MedChem
239657,C[NH2+]C1(C)CC1NC(=O)C(O)C(C)C(N)=O,0,GDB MedChem
213870,CN(C(N)=O)C1CC2CC=CCC21O,1,GDB MedChem
224151,CC1=CCC2COCC2C1C,1,GDB MedChem
159045,C#CCCC(C)CNC(=O)C(C)C,1,GDB MedChem
206068,CC1(C)CC(C#CC#N)=CCC1C1CC1,1,GDB MedChem
116842,N#CCC(=O)C1=CCCC(=O)N1,1,GDB MedChem
285333,CC(C#N)C12OCC1C2C,0,GDB MedChem
110174,CC(CCC1=CC[NH+](C)CC=C1)C[NH+](C)C,0,GDB MedChem
250810,C#CCCC(C)c1cc2c(n1C)CC(C)(C)C2,0,GDB MedChem
362302,CCN=c1cc(OCC)scn1,0,GDB MedChem
285652,CC1=CC2CCCC=CC1C([NH3+])C[NH2+]2,0,GDB MedChem
18467,CCOCc1oc(CN)nc1OC,0,GDB MedChem
120112,CCC12CCCNC(=O)C(CC1)OCC2C,0,GDB MedChem
51189,[NH3+]C1CCCC=C2C=CC3CC3[NH2+]C1C2,0,GDB MedChem
391937,CC(C1CCCCC[NH2+]CCCC1)N(C)C=O,0,GDB MedChem
300986,CCn1c(C[NH3+])cnc1C#CC1COC1,0,GDB MedChem
307310,CC1CS(=O)(=O)C1CC#N,0,GDB MedChem
214942,CCC(CCC[NH3+])C1(C#N)CC2CC2N1,0,GDB MedChem
239828,[NH2+]=C1NC=CC=CN1CCO,0,GDB MedChem
123956,CC[NH2+]CC(CC)C1(O)COC2C[NH2+]C21,0,GDB MedChem
117708,CC12C(=O)CC1OC2CO,0,GDB MedChem
294832,COC1CNC(=O)C(CC2C[NH2+]CCC2C)O1,0,GDB MedChem
181218,CC1CC=C(C2(C)CC2CCO)CC[NH2+]1,0,GDB MedChem
297843,[NH3+]C1CCCC=C2C(=O)OC1C1CC21,0,GDB MedChem
373002,CC#CC1OC2CC([NH2+]C)C(C)=CC12,0,GDB MedChem
369378,CCOCCC(CCCCO)C(C)CO,0,GDB MedChem
241946,O=C1COCCNC12C=CC[NH2+]C2,0,GDB MedChem
236047,CC1CCC2=CCC(=CC(C)OC1)C2C,0,GDB MedChem
117972,C#CCOCC1CCC2CC2OCC1C,0,GDB MedChem
369516,C#CC1=CC(=O)NCC(CC[NH3+])OC1,0,GDB MedChem
116262,CC[NH+](C)C1(CC(C)C)CCCCCC1,0,GDB MedChem
371001,C[NH2+]C1CC2C([NH3+])C2(CC(C)(C)C)C1,0,GDB MedChem
111148,C#CC1[NH+](C)C(C)C2CC=CC1(C)C2,0,GDB MedChem
283473,CC1OC(Cc2cnco2)C1CO,0,GDB MedChem
326757,CC1C(=O)OC2C(CO)C(=O)OC12C,0,GDB MedChem
178398,CCc1cccc2c1CC(C)(C)CC2CC[NH3+],0,GDB MedChem
327358,CCCC([NH3+])CC1(C)CCC[NH2+]C1C(C)CC,0,GDB MedChem
380974,CCOc1[nH]ccc1-n1cnnc1,1,GDB MedChem
37787,CC1OC(C2CCC2)CC1[NH2+]C1CC1,0,GDB MedChem
2015,C#CC(C[NH3+])C(OC)C(CC[NH+]=C(N)N)OC,0,GDB MedChem
282039,N#CC1(CCO)C=C(CCCC[NH3+])CO1,0,GDB MedChem
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327195,CCC1(NCC#N)CC=CC(OC)C1,1,GDB MedChem
331367,C#CC1(CCCOCC#N)CCC[NH+](C)CC1,0,GDB MedChem
346458,C#CC1(NC(=O)CC2COC2)C=CCC1,1,GDB MedChem
320181,CCCC#CC1C(=O)C2(C)CCOC12,0,GDB MedChem
367017,CC(=O)n1cc(C#N)cc1C1CCC1=O,0,GDB MedChem
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212045,C=CC1OC(C#N)C(C)C12CCO2,0,GDB MedChem
315634,CC1C[NH2+]C1C#Cc1ccc(C#N)s1,0,GDB MedChem
16617,C#Cc1c(OC)c(=O)c2ocnoc1=2,0,GDB MedChem
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224066,[NH3+]C1C=CC2(C1)CC(O)C2CO,0,GDB MedChem
240208,C#CC1C=CC[NH+]1CCOC,0,GDB MedChem
57531,C#CC1CCCCC=CC2(CO)C=C1C[NH2+]2,0,GDB MedChem
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136406,CC1=CC2C=CC3=CCC(=NO)C=C(C1)C32,0,GDB MedChem
72192,COC(C)(C)C1CC1CCC[NH3+],0,GDB MedChem
52621,CCc1ccc(C(C[NH3+])CC2CCCC2)[nH]1,0,GDB MedChem
270012,CC(O)C1=CC2C(=O)CN2C(=O)C1,0,GDB MedChem
223084,CC1C=CC2(CCC3CC3)CC1C[NH2+]2,0,GDB MedChem
124968,[NH3+]C1(CN2CCC2)CC=CCC1,0,GDB MedChem
376845,CC1C(C)C12C=C(CC#CCO)CC2[NH3+],0,GDB MedChem
158082,COCC(O)C1(C(N)=O)CCCC(=O)OC1C,0,GDB MedChem
353464,OCCC12CC[NH2+]C(CO)CC1=CC[NH2+]2,0,GDB MedChem
370898,C[NH2+]CC#CCC1(c2ncc[nH]2)C=CCC1,0,GDB MedChem
40680,CC1C[NH+]2CCCC2C(C2COC2)C(=O)O1,0,GDB MedChem
296910,CN(CC#N)CC(O)COC1CCC(=O)O1,1,GDB MedChem
171988,CC1C#CC(C[NH3+])=CCC(C)(C)[NH2+]C1,0,GDB MedChem
332003,N#CCCC1=CCC=CC[NH2+]C1,0,GDB MedChem
306804,CC#CC[NH2+]CC(C)NC(N)=[NH2+],0,GDB MedChem
198190,C[NH2+]Cc1cnc(C)c2ncc(=N)oc12,0,GDB MedChem
162249,CCCC1C=C(C)COCCCC1OC,0,GDB MedChem
171700,CCC1=C2C(C)=CCC(C(C)=CC=C1)C2O,0,GDB MedChem
45229,CC1OCC2(C[NH3+])CC1OC2C[NH3+],0,GDB MedChem
81248,CC1CCCC1C1([NH3+])CC1C#N,0,GDB MedChem
194078,N=C1NCC=CNC(=O)N1CC1CC1,0,GDB MedChem
80863,C[NH2+]CC1=CC=C(C[NH3+])CC(O)(CC#N)C1,0,GDB MedChem
192005,CCOCCC1CC1,1,GDB MedChem
369203,CC(O)CC1C(C)C12CC1=C(C[NH2+]C1)C2,0,GDB MedChem
102524,CC(C[NH3+])CC(C)(C)C#Cc1ncco1,0,GDB MedChem
143556,C#CC1(O)C(C[NH+](C)C)=CCCC1CC,0,GDB MedChem
286646,C=CC1CC(C)[NH+]1C1CC1(C)CO,0,GDB MedChem
331122,CC(C)OC1CC=C(C(C)C)C1,1,GDB MedChem
216234,O=C1C2=C(CCC=CC2)Cc2cscc21,1,GDB MedChem
380103,CC(CCCC(C)C(O)CCO)c1nnon1,0,GDB MedChem
357852,CNC(C#N)C1CC1(O)CO,1,GDB MedChem
356006,CC#CC(C#N)C1CN(CC[NH3+])C1,0,GDB MedChem
205110,C#CC1=C(C)CC(Oc2ccccc2)C1,0,GDB MedChem
116843,COCC1CC2C=CCC(=O)N21,1,GDB MedChem
132038,C#CC1=C(CC[NH3+])C(CO)(C(C)[NH2+]C)CC1,0,GDB MedChem
241913,CCC[NH2+]C1(C)C(N)CC1CO,0,GDB MedChem
249784,CC1([NH3+])CCC1OCCc1ccon1,0,GDB MedChem
146339,C#CC(CC)C(O)C1CC1,1,GDB MedChem
280918,CC1OCC2(C)C(=O)CC(C2=O)C1O,0,GDB MedChem
89965,O=C1OCC2CCC2(O)CO1,1,GDB MedChem
129653,CCCCc1ccsc2c(C)cc(C(C)C)c1-2,0,GDB MedChem
260447,C#CCCOc1cc(N(C)C)cc(N)c1C,1,GDB MedChem
216721,CC1=CC[NH2+]C1(C)C(N)C(C)[NH3+],0,GDB MedChem
235448,CC(=O)CC(CCCCNC=O)=NO,1,GDB MedChem
290388,NC1C[NH+]2CCC([NH3+])C1C2,0,GDB MedChem
153448,C#CC([NH2+]C)C1(Cc2nnn[n-]2)CC1[NH3+],0,GDB MedChem
51250,C=CC1C(NC(N)=O)C(=O)C1[NH2+]C,0,GDB MedChem
163751,CC1(C#Cc2ccn[nH]c2=O)CC(=NO)C1,1,GDB MedChem
68941,CCC1(CC2CNC3COCC3[NH2+]C2)CC1,0,GDB MedChem
75304,CC(O)C1C=C2COC2(C)C(C)O1,0,GDB MedChem
115700,COc1cc(C)c(C(C)(C)CO)cc1F,1,GDB MedChem
240618,CC1(C)CC(O)C1N=c1ccoc(C[NH3+])n1,0,GDB MedChem
81178,CNc1c(CC2=CCOC2)[nH]c(N)c1C,0,GDB MedChem
169233,COC1C=CCC1C(=O)C1CC[NH2+]CC1=NO,0,GDB MedChem
248943,CC([NH3+])C1CCC(O)COC1,0,GDB MedChem
353615,C1=CCC2(CC=CC(c3c[nH]cn3)=C1)CC2,0,GDB MedChem
373164,CC1=CC=CC2=C(C3CC[NH2+]3)C(=O)CC2=C1,0,GDB MedChem
357951,CC1(CO)COC(=O)NC2C(O)C2C1,0,GDB MedChem
301362,CC#CC1(C)C=CCC=CC1=O,0,GDB MedChem
111321,NC1C(=O)NC1C([NH3+])C1CCOC1,0,GDB MedChem
44272,CCCC[NH2+]C1CC(C)CC([NH2+]CC)C1C,0,GDB MedChem
8809,CCc1cc(=NCC2(C)CC2)snn1,0,GDB MedChem
128002,COC(C)C(C)C1(C)CC(C(C)C(C)=O)C1,0,GDB MedChem
207119,C#Cc1cc(O)c(O)c2c1cc(N)n2CCC,1,GDB MedChem
139282,C=CC=CC1C[NH+]2C1CC1CCC12,0,GDB MedChem
313916,CN1C(=O)CC12COC2,1,GDB MedChem
262853,CCc1cc2c(nc1O)C(C#N)C(C)(O)C2=O,0,GDB MedChem
187929,C#CC([NH3+])CC(CCC[NH+](C)C)c1ccoc1,0,GDB MedChem
94297,CCC1CC(C)C2(CC)c3ccsc3CCC12,0,GDB MedChem
52691,O=C1CCCCC12C#CC=CCCC=C2,0,GDB MedChem
287079,CC[NH+]1CCCCC2C[NH+](C)C(C)C2CC1C,0,GDB MedChem
57067,CCC1(C(C)(C=NO)CO)CC(CC#N)C1,0,GDB MedChem
380473,CNC1C[NH+]=C(N)N2CCCC(OCC[NH3+])C12,0,GDB MedChem
58164,CC#CC1=CC[NH+]2C(C)CC23C=CCC3=C1,0,GDB MedChem
64585,CCC1(C[NH2+]C)CC(=O)C1O,0,GDB MedChem
196201,CCCC1C[NH2+]CCC(N)C2[NH2+]CCC12C[NH3+],0,GDB MedChem
10925,CNC1C[NH2+]C2C(CC=NO)OCCC12C,0,GDB MedChem
92197,CC#CCC1(C)CCC1C[NH3+],0,GDB MedChem
29903,C[NH+](CC1(C)CC1)C1CC=CC1,0,GDB MedChem
226329,CNC(=O)CCC(O)C(C)=O,1,GDB MedChem
277536,C=C1C=C(C[NH2+]C)C=C1N(C)C=O,0,GDB MedChem
313912,CC1OC2C(=O)OC(C3CC3)CC12O,0,GDB MedChem
255696,CC1(O)CC2[NH2+]CCCC2C1C(=O)[O-],0,GDB MedChem
369398,CC1CCC2CCC[NH+]2C(C)(CC(C)(C)C)C1,0,GDB MedChem
83233,C#CCn1cc(O)ncc1=O,1,GDB MedChem
263566,CCCC1C=CCC=Cn2cc(C)cc2C1,0,GDB MedChem
141009,C#CC(C)c1cc(C)cc(C(CC)C[NH3+])c1C,0,GDB MedChem
280401,C#CC1(C)CC2=C(CCCC2)C(O)C1=O,1,GDB MedChem
45252,CCC1=CN2CC[NH+]=C2NC1,0,GDB MedChem
350120,CN(C)C(C)(CC#N)c1ccc(C[NH3+])s1,0,GDB MedChem
265023,CC(CO)(C[NH+]1CC=CCC1)C(N)=O,0,GDB MedChem
142161,Cc1cc(Cn2ccc(CC(C)(C)C)n2)n[nH]1,1,GDB MedChem
302156,C[NH2+]C(COC)CC1(N)CCCCC(O)C1[NH3+],0,GDB MedChem
236458,C=CC(=Cc1[nH]ncc1CO)CO,0,GDB MedChem
96183,O=C1CC2(CO)COC(O1)C2CO,0,GDB MedChem
294348,CCCC1CCC2CCC1(C)CC(C)[NH+](C)C2,0,GDB MedChem
83691,C#CC(O)C1(C)NCCC1=O,0,GDB MedChem
376876,CCC1=CCCCCC[NH+](CC)CC1,0,GDB MedChem
300622,Cc1cocc1NCC(O)C[NH3+],0,GDB MedChem
373133,C[NH+](C)C1CCC(CS(=O)(=O)[O-])C1,0,GDB MedChem
389247,C#CCCC1CC2=CC[NH+](C)CC2=C1C[NH3+],0,GDB MedChem
81838,CC(C)(OC1CC1)C1CC=CC1,1,GDB MedChem
37954,CC(O)C1(C)[NH2+]C(C(N)=O)C1CO,0,GDB MedChem
25683,C#CCC1C=CC(C2=CC(C)CC2)[NH2+]1,0,GDB MedChem
232294,CC(=O)C1CN2C(=O)C=CCC2C1O,0,GDB MedChem
367272,CCC(C(C)=O)C12CCCOC(C1)C(C)CC2,0,GDB MedChem
236908,CCC1C2CC(=O)C2[NH2+]C1C1COC1,0,GDB MedChem
275301,C#CCCC1C=C2C=C(C(C)C)C3CC1C23,0,GDB MedChem
36670,C#CC(C)(C1CC(C)=CC(C)C1)C1([NH3+])CC1,0,GDB MedChem
124949,C[NH2+]C12c3ccccc3CC(C)C1CCC2C,0,GDB MedChem
192426,CC1C2OCC3(C)C=CCCC(C#N)=C3C12,0,GDB MedChem
52340,C=C(C)CCC[NH2+]C1CC(CO)C1,0,GDB MedChem
171733,C[NH2+]C1CCCC2CC2C1(C)CCC[NH3+],0,GDB MedChem
327036,COc1ccc2c(c1)C(C)(C)CCCCC2C,1,GDB MedChem
68990,CC1CC(C#N)C(C)C1(C)c1ccc(N)nc1,0,GDB MedChem
353442,N#CC1NCC2[NH2+]C(CC(N)=O)C12,0,GDB MedChem
13213,COC(C[NH3+])(CCCOC(N)=O)C(C)C,1,GDB MedChem
339350,[NH3+]CCCc1cn(C=O)c(=O)c2c1CCO2,0,GDB MedChem
143012,CCC1(O)CC(CC[NH3+])=C(C([NH3+])C(N)=O)C1,0,GDB MedChem
369663,C#CC1(CCO)C(O)C1CO,0,GDB MedChem
245714,C=Cc1oc(=O)n(C(=O)CO)c1C,1,GDB MedChem
60117,CC([NH3+])C(CO)NCCC1CC[NH2+]1,0,GDB MedChem
23226,CCCCCC1([NH3+])CC([NH3+])C1,0,GDB MedChem
102558,NC1CN(C2CC2CO)CC1[NH3+],0,GDB MedChem
125480,CCC1CCC(C[NH3+])=C1CCC1([NH3+])CC1,0,GDB MedChem
106294,CCc1sc(N)c2cc(CO)cc(C)c12,0,GDB MedChem
71034,CCC1CCC=C1c1cc(C)c(C)s1,1,GDB MedChem
319471,C#CC1C(CCCC(C)=O)C(C)CCC1(C)C,0,GDB MedChem
38696,CCC1CCC2OCOCC=C12,0,GDB MedChem
319757,CCC#CC(C)(O)C1(OCC)CN(C)C1C,0,GDB MedChem
68798,C[NH2+]CC1(C2C=C(C#N)CO2)C[NH2+]C1,0,GDB MedChem
71804,CNC(=O)C([NH3+])c1ccc(C)[nH]1,1,GDB MedChem
62419,Nc1cc(C2=C(C3CC3)C[NH2+]C2)cn1C=O,0,GDB MedChem
59153,C=C1C#CCCC(C)=CC(=C)C=C1,0,GDB MedChem
171355,C[NH2+]C1C(CCO)CC(=O)C1CO,0,GDB MedChem
168878,CC(=O)NC(=O)CCC1(O)C[NH2+]C1,0,GDB MedChem
149225,C#CCc1[nH]cc2c1C=CC(C)C(C)=C2,0,GDB MedChem
174719,O=C1CC2C(CN1)C2(CCO)C(O)CCO,0,GDB MedChem
183578,CC1C=C(C(=O)C(C)(C)O)C(O)C(C#N)C1,0,GDB MedChem
233721,N#CC1CNCC2C=CCC2C1=O,0,GDB MedChem
264781,CC1C(=O)C2C=CC[NH2+]C12,0,GDB MedChem
134154,N#CC1(CN)NCC1C1OCC1O,0,GDB MedChem
174506,C1CC(C2CC3CCCC[NH+]32)C1,0,GDB MedChem
348997,C=CC(C)C1CC2CC(C)C[NH+]2C1,0,GDB MedChem
27648,CC(CC12CNC(CC#N)C1C[NH2+]C2)NC=O,0,GDB MedChem
369552,Cc1ncc(N2CC(O)C=CC2C#N)n1C,0,GDB MedChem
335658,C#CC12C[NH2+]C1CCC2C(=NO)C(C)(C)O,0,GDB MedChem
149451,C=CCC(=C)C1OC(C)C(=O)C1=C,1,GDB MedChem
53522,CC(=O)CCC1(C#N)OCOC1C,0,GDB MedChem
66211,CCCCC1(C)CC1N1CCC1=O,1,GDB MedChem
52305,CC1=CC2(CCC2)C(C)=CCCC=CC#C1,0,GDB MedChem
123901,CC([NH3+])C1=CC2=CCCC3(CC3)C2[NH2+]C1,0,GDB MedChem
14071,CC(C#N)C(O)C1CC(=O)O1,1,GDB MedChem
352320,C1=C(C2(CC3CCOC3)CCCC2)CCC1,0,GDB MedChem
267535,N#CCCC1CCC2(CC2)CC2C=CC1O2,0,GDB MedChem
98161,COCCC1C=C2CCC2(C)CC=CC1,0,GDB MedChem
47935,CC1C(C#N)CCC1(C)C,1,GDB MedChem
263051,CC#CC(C)C(C)([NH3+])C1CC1,1,GDB MedChem
63915,CC(C[NH+](C)C)CC12CCCCC1CCCC2,0,GDB MedChem
366657,C=CC(CC[NH3+])C(CO)C([NH3+])CO,0,GDB MedChem
55943,CC1C2CC(C=CC(C)(C)CCO2)C1[NH3+],0,GDB MedChem
366319,C#CCc1c(C=C)c(=N)[nH+]cn1C,0,GDB MedChem
42312,CC(C)(O)C1C(C[NH3+])C=CC1(C)O,0,GDB MedChem
246114,CCC([NH3+])CC1Nc2ncccc2C1C,0,GDB MedChem
163954,NC1(C[NH3+])C=CCCOCC([NH3+])C1,0,GDB MedChem
183032,OC1C=C(CC23CCC(CC2)[NH2+]3)CC1,0,GDB MedChem
351507,CC(=O)NC(C)C1C(O)C12C=CC(=O)N2,0,GDB MedChem
6382,C#CC1C(=O)NC(=O)C(N)(C[NH3+])C1CO,0,GDB MedChem
292054,O=C1OC2CC2CC2=CC(CC2O)C1=O,0,GDB MedChem
395557,C#Cc1cc2[nH]cc3c(c-2c(=O)c1C)C=C[NH2+]3,0,GDB MedChem
367570,C[NH2+]CC1CC=CC(C)(C)C1,0,GDB MedChem
368681,N=c1ccc(C#CC2(O)CC2[NH3+])cs1,0,GDB MedChem
289675,C#Cc1cn2c(c1C1CC[NH2+]C1)CCC2CC,0,GDB MedChem
7440,C#CC1OCC2(C)CC(C)C=C12,0,GDB MedChem
113849,C=C1C=C(C(C)CC(=O)[O-])C(=O)N1,0,GDB MedChem
343175,CC1=CC(C)CCC(OCC=NO)CC1=O,1,GDB MedChem
104183,CC1C(C[NH3+])N2CC(O)CC12,0,GDB MedChem
52574,C#CC1(C)CC1C(C)(CC)OC,1,GDB MedChem
35402,CC1CC2(CCC3CCC(C)C(=O)N32)CC1=O,0,GDB MedChem
295093,C#CC1C(=O)CC2CCC21C,0,GDB MedChem
360113,CC1CC(C)(C2[NH2+]C(C)C=C2CCCO)C1,0,GDB MedChem
238469,CC(C)OCC1=CCC2NC(=O)CC=C12,0,GDB MedChem
32706,CC1=CC(C)C2(C(C)C)C(C#N)CCCC12,0,GDB MedChem
345094,C#CC(C)(C)CCC1(C[NH3+])CC(C)CC(C)[NH2+]1,0,GDB MedChem
143567,CC1[NH2+]CC(N)C1(N)C1[NH2+]CC=C1CO,0,GDB MedChem
179105,CC1CC(O)C2CCC=C2C1C1CCC1,0,GDB MedChem
65187,CC1C(=O)C(CO)C1(O)CO,0,GDB MedChem
187777,CNc1ccc(Cl)c2cc(C)n(C)c12,1,GDB MedChem
7650,CCC1CC2(C)c3c1ncc(N)c3CC2OC,0,GDB MedChem
213818,CC1([NH3+])C2CCC1C(O)C2,0,GDB MedChem
124967,NC(=O)C1(c2ccoc2)CC1,1,GDB MedChem
364471,C#CC1CC2CCCC(CCC)C1(C)CCC2,0,GDB MedChem
329856,C#CC(C)(C)NC(=[NH+]CC)N(C)C(C)CCO,0,GDB MedChem
124352,CCC1CC2=CCOC(=O)NC2(C[NH3+])C1,0,GDB MedChem
347392,C[NH2+]C1CC2(CC([NH3+])C2)C1N,0,GDB MedChem
389838,CC1=CC2[NH2+]CC(CCOCC2=O)C1(C)O,0,GDB MedChem
384046,[NH3+]C1COC1CCCCC1=CNC(=O)C1,0,GDB MedChem
132033,CC(=O)N(C)c1scc2c1CC(O)CC2,1,GDB MedChem
42177,CC(C)C[NH+]1CC=C(CO)C1,0,GDB MedChem
323573,CC1=C(CC[NH3+])C2COC(C=C3COC31)C2,0,GDB MedChem
2876,CCCCC1(C)CC2CC(=O)C(CCC)C2C1,0,GDB MedChem
315938,COCC1C=CCC(CO)[NH2+]CC1[NH3+],0,GDB MedChem
8060,C#CC1(C)NC(=O)C(CC)=CC=C1C,0,GDB MedChem
117058,CCCC(CC#CCO)OCCOCC,1,GDB MedChem
336922,CC12C(CO)C=CCCC1C2C#N,0,GDB MedChem
51138,C#CC(C)(C)OC1CC(C(C)CC)C(C)(C)C1,1,GDB MedChem
278984,CCN1C(=O)CC(C#CCS(C)(=O)=O)=C1C,0,GDB MedChem
113219,C=CCC1=CCN(c2nnon2)C1,0,GDB MedChem
212721,C#CC1=CC(CO)NC(=O)C=C1N,0,GDB MedChem
259846,CC1OCC(C2(O)CC2O)O1,1,GDB MedChem
381401,C[NH2+]C1(C)CC2=C(CCC(C3CC3)CC2)C1,0,GDB MedChem
9653,CC(=Cn1nc(C#N)nc1C)C[NH3+],0,GDB MedChem
71352,CCC(C)(C#CCC#N)[NH2+]CCN(C)C,0,GDB MedChem
205136,CCC([NH3+])C=C1C(O)CC1COC,0,GDB MedChem
128562,CCOc1occ2c1CC(C)=CC[NH2+]C2,0,GDB MedChem
305674,CC1CC(C#CCO)(S(C)(=O)=O)C(=O)C1=O,0,GDB MedChem
163679,CC[NH2+]CCc1n[nH]c(CC(C)=O)c1N,0,GDB MedChem
287134,C[NH2+]C(C)(C#CCC#N)C(C)(N)C(=O)[O-],0,GDB MedChem
293239,[NH3+]CC1C=C2C=CC(=O)NC2C1,0,GDB MedChem
71386,C=C1C(O)CC[NH2+]C1CC#CCO,0,GDB MedChem
14267,CC1(O)C[NH2+]C(C(O)C#N)C1,0,GDB MedChem
69330,O=C1CCC(C2[NH2+]C3CC32)N1,0,GDB MedChem
268844,COc1nc(O)c2c(cc(CO)c(=O)n2C)n1,0,GDB MedChem
52838,C#CC1(CNCC(OC)C(N)=O)CC[NH2+]1,0,GDB MedChem
493,C[NH2+]C(C[NH3+])(Cn1cnc(C)c1C)C(C)(C)C,0,GDB MedChem
125446,CC#CC(C)C1(OCC)OCC=C1CO,0,GDB MedChem
10311,C#CC(=C)C(O)C=Cn1ncnn1,0,GDB MedChem
286237,CCC1=C(C2CC2)CNC(=O)C=CC#C1,0,GDB MedChem
72639,C#CC(C)(C)OC1CC(CC)CC12CC2,1,GDB MedChem
238924,Cc1ncncc1C(O)CC[NH3+],0,GDB MedChem
372799,O=C(CO)C1(C2C[NH2+]C2)CC1,0,GDB MedChem
58916,CCc1cc(C#N)nc(O)c1C(C)[NH3+],0,GDB MedChem
175045,C#CC1CC(=O)C2COC2(C#N)C1,0,GDB MedChem
98173,CC1C(=O)CC2C(C3CC3)C[NH+]12,0,GDB MedChem
361064,O=C1OC2CC(O)CC1C2(CO)C1CC1,0,GDB MedChem
27877,CC1=CCC(C[NH3+])C2OC(C)CC2=CC=C1,0,GDB MedChem
104904,CC(O)C1CC(O)C(C(=O)[O-])C[NH+](C)C1,0,GDB MedChem
397186,C#CC1CC2CC1C(C(C)(C)CC)OC2(C)C,0,GDB MedChem
131424,CC(CC1CC1)C([NH3+])C[NH3+],0,GDB MedChem
104160,CCCC(C)c1cc(C)n(C(C)C(C)CC)c1,1,GDB MedChem
85307,CC1=CC(O)CC(OCC(=O)CO)C1O,1,GDB MedChem
275274,N#CC1CC=C(C(N)=O)C(=O)C1,1,GDB MedChem
76172,CC1CC2C(C)CC=CC2C1=O,1,GDB MedChem
96597,C[NH2+]C1CC2=CC(CC#N)=C(C)CCC21,0,GDB MedChem
223052,CC[C-]1C(=O)Oc2ccc(C)c(C)c2OC1=O,0,GDB MedChem
47597,CCC(CCCCOC)[NH2+]CCC(CC)OC,0,GDB MedChem
72350,CC(C)Nc1c(CC(=O)[O-])ccn1C,1,GDB MedChem
86957,C[NH+](C)C1(CCC(F)(F)F)C=CCC=CC1,0,GDB MedChem
291091,CCC1=CCC(=O)C2(C=C(C)C1)CC2C,0,GDB MedChem
86457,C#CC1=Cc2[nH]cc(CC)c2CCC=C1,0,GDB MedChem
316813,CCCC(C)(O)c1cc(CCO)c(C)[nH]1,1,GDB MedChem
57403,C#CC1C2C(CC)CCC(C)=C(C)C12C#N,0,GDB MedChem
135753,CCC(=O)N(C)CC(O)CC1(O)C=CCC1,1,GDB MedChem
215901,C[NH2+]C(C)(C1=C(C)CC(=O)C1)C1(C)CC1,0,GDB MedChem
66518,CCOc1ccc(OCC)c(Cl)c1Cl,1,GDB MedChem
316823,C#CC(CC)CC1=CC2OC(C)(C)C=C2C1,0,GDB MedChem
240667,CCn1c(C)cc2c1CC([NH3+])CCCC2,0,GDB MedChem
110631,CC1=CC2(O)C(C#CC(C)=NO)C2C[NH2+]C1,0,GDB MedChem
127309,[NH3+]C12CCC1COCC[NH2+]C2,0,GDB MedChem
45135,COC(C)C#CCC1([NH3+])CC1O,0,GDB MedChem
205560,CCCC(=O)CC1CC=CCC1,1,GDB MedChem
287613,C#CC(C)(CC)c1cc(=[NH2+])sc(C)c1O,0,GDB MedChem
395102,CCc1cc2ccc3ccnc-3n2c(C)c1C,0,GDB MedChem
245439,CCCC(C)OCC(N)=O,1,GDB MedChem
72646,C#CC1=CCOC1C1(OC(C)(C)C)CC1,0,GDB MedChem
148463,CCC(C)(C)C#CC1C([NH3+])C=C(C)C1C,0,GDB MedChem
295859,C#CCOc1ncc2c(c1C)OC(C)C2C,0,GDB MedChem
25720,C1=CCC2(CCC2)[NH2+]C2CC2CC1,0,GDB MedChem
267514,OC1(CC2CC[NH2+]2)COC1C1CCO1,0,GDB MedChem
206543,Cc1sc(C)c(C(O)CO)c1[O-],0,GDB MedChem
186820,CC(=O)C#Cc1cnc(N)c(=O)s1,0,GDB MedChem
152643,C#CC1(C)COCC(CCC(C)C)=CCO1,0,GDB MedChem
128195,C[NH2+]CC(C)(N)CN1C(C)C(N)C1(C)C[NH3+],0,GDB MedChem
210001,CC1C(C#N)OCOC(=O)CC1(C)C,0,GDB MedChem
335302,CC1CC2(O)C(CCC#N)C12,0,GDB MedChem
240909,CC(C)C1OCC1(C)C(N)=O,0,GDB MedChem
286245,C#CC1CC2([NH+](C)CCC(O)CC)CCC1C2,0,GDB MedChem
116108,CC#CC1CC2CC1C=CN2C(=O)CO,0,GDB MedChem
19842,O=C1C#CC=CCCCN1,1,GDB MedChem
204965,CCCc1oncc1C(C#N)C1(C)CC1,0,GDB MedChem
396794,CNC1CC12C=C(C)C(C)[NH2+]2,0,GDB MedChem
7497,C#CCC(C)(OC)C(=O)Cc1ccc(F)cc1,1,GDB MedChem
181228,CCCC1(CC)CCC=C(C[NH3+])C=C1C,0,GDB MedChem
361479,CC1CC(C[NH3+])(NC=O)C[NH2+]1,0,GDB MedChem
149083,CCC(C)([NH3+])C12CCNC(C[NH2+]C)C1C2,0,GDB MedChem
303543,C#CC1CCC2OC(O1)C(C(C)(C)[NH3+])C2(C)C,0,GDB MedChem
65122,CC1(O)CC(=O)CC1C(=O)C1=CCCC1,1,GDB MedChem
314601,C1=C(C2CC2)C2(COC2)[NH2+]CC1,0,GDB MedChem
56877,O=C(NCCC=CCO)C1CC[NH2+]1,1,GDB MedChem
67245,CCC12CCC(C1)OC(=O)O2,1,GDB MedChem
38286,CC#CC1C=CC=C(COC)C(C)C[NH2+]1,0,GDB MedChem
239032,CC(C)C1=CC([NH3+])C2OCCC12,0,GDB MedChem
48904,CC(C#CC1CC(C)(O)C(C#N)N1)[NH+](C)C,0,GDB MedChem
317904,CCC12CCC(C1)[NH+](C)CC(C)C2,0,GDB MedChem
121564,C#Cc1oc(CCC)cc1[O-],0,GDB MedChem
36081,CCC(C)CCCC(C)C(C)[NH3+],0,GDB MedChem
117795,CN=C(NC)c1cc(C(C)OC)on1,1,GDB MedChem
188459,O=C1CNC=C1C[NH2+]C1CC1,0,GDB MedChem
38332,CCC[NH2+]CC1(N)C(O)C1O,0,GDB MedChem
105853,C#CC1C2CC[NH2+]CCC(OC)C12,0,GDB MedChem
15755,CC1C2CC([NH2+]C(C)(C)C2)C1C(C)(C)[NH3+],0,GDB MedChem
27452,CCn1c(=[NH2+])cc(C(C)O)[nH]c1=NC(C)C[NH3+],0,GDB MedChem
253103,CC1=C2C(CCCC3CC23C)C[NH2+]C1,0,GDB MedChem
303553,Cn1ccc2c1C(C)(C)CCOCC(C[NH3+])C2,0,GDB MedChem
130655,CCCc1sc(C[NH2+]C)cc1C(=O)CC#N,1,GDB MedChem
76623,CCn1ccc2cc(CO)cc(C#N)c21,1,GDB MedChem
363389,CC1=CC(C)(NC(N)=[NH2+])CCC2CCC=C12,0,GDB MedChem
216274,N#CC1C2=CC[NH2+]CC1NCCC(=O)N2,0,GDB MedChem
18449,C=C(CCC(O)CO)C(C)(O)CO,0,GDB MedChem
129527,CC#CCC1C(CO)C2=CC(=NO)CCN21,0,GDB MedChem
215963,CC(C)(C)C1[NH2+]C2CC1COC2C#N,0,GDB MedChem
116740,COC(C)(C)C(C)(C(N)=O)c1ccc(C)[nH]1,0,GDB MedChem
334935,COC1C2=CCCCC[NH2+]C1CC2,0,GDB MedChem
373546,C[NH2+]CC(C)(C)C[NH2+]C1CC1,0,GDB MedChem
28813,CC[NH+]1CCC2=CC(CCCC2)C([NH3+])CC1,0,GDB MedChem
238450,CC1CCC(O)(C2OCC(C)C2CCO)CC1,0,GDB MedChem
16878,CC(=O)C(CCO)C(O)Cc1cnco1,0,GDB MedChem
268225,N#CC(N)CCc1cn[nH]c1,1,GDB MedChem
256234,C[NH+](C)CC1(O)C=CCC[NH2+]CC1O,0,GDB MedChem
59759,CCC1CC(C)=CC(C(C)O)O1,1,GDB MedChem
139168,C#CCC1C2OCC(O)C12O,0,GDB MedChem
247931,Cc1cc(C#N)nc(CCCC2CC2)c1,1,GDB MedChem
40829,CCC1(CO)CCc2cccc(C)c2CC1[NH3+],0,GDB MedChem
52790,C=C(C)C[NH2+]C1C=CC(C[NH3+])OC1,0,GDB MedChem
383511,[NH3+]CC1COC12C=CC(O)C2,0,GDB MedChem
124916,CCOCC(C[NH3+])CC#CC[NH3+],0,GDB MedChem
53384,CCOCCC=CCCN(C)C=O,1,GDB MedChem
31207,CC1=C(C[NH3+])CCC(C)(c2ncco2)OC1,0,GDB MedChem
187283,CCC1C=CC(C(C)CO)C[NH2+]1,0,GDB MedChem
101716,CC#CCC1C=CCC2=CCC(C2C)C1O,0,GDB MedChem
69355,CCOC1(CO)CN(C2CC2)C1,1,GDB MedChem
2509,COC(C)C1C=CCc2scc(CO)c21,0,GDB MedChem
92233,CCCC1C2=CC(=O)CCC2CCC12CC2,1,GDB MedChem
197889,C[NH2+]CC=CC1=C(CO)C(=O)CC1,0,GDB MedChem
282857,C#CC1CCCC(C)=C(C#N)N1C=O,0,GDB MedChem
175202,CC#CC1C=C(CC)CN1C1CC1[NH2+]C,0,GDB MedChem
53112,CC1CC1([NH3+])CC1CCC1[NH3+],0,GDB MedChem
245177,O=C(CC1C[NH2+]C2C(O)C12)OCCCO,0,GDB MedChem
99174,CC(C)C[NH+]=C(N)NC(C)(C#N)C(C)C,0,GDB MedChem
224203,C#CC1[NH2+]CC2(C)C(CO)C12,0,GDB MedChem
30803,CNC(=O)NC1=CC(C(N)=O)N(C)CC1,0,GDB MedChem
72343,C#CCOC1CC(C)CC(CC)CC([NH3+])C1,0,GDB MedChem
232544,CNC(=O)C=C(N)C(C#N)=CC[NH3+],0,GDB MedChem
280165,C#CCC12C3C=CC1C(C)=C(C[NH3+])C2C3,0,GDB MedChem
15208,CC1=C2CC(C)(C)CC=CC2[NH2+]CC1,0,GDB MedChem
390261,C[NH+]1CCCCC(=O)CC1,0,GDB MedChem
37926,C[NH2+]C1C=CC(CC[NH+](C)C)C1,0,GDB MedChem
138020,N#CC1=CCN(C(N)=[NH2+])C=CC1N,0,GDB MedChem
141017,C#CC1C(O)CNC1(C(C)=O)C(N)=O,0,GDB MedChem
52166,C#CCC(C[NH3+])C1NC(C#N)CC1CC,0,GDB MedChem
286043,CC1CC2(O)C=CC#CCC1CCC2[NH3+],0,GDB MedChem
348355,CC1C(=O)C(C)C2OC1C=CC21CC1,0,GDB MedChem
133074,CCC(O)C1[NH2+]CC1(O)C(C)=O,0,GDB MedChem
330846,C1#CCOC2C=CC(=CC1)C2,0,GDB MedChem
143547,Cc1cc2c(c(O)c1O)C[NH2+]C(C)C2,0,GDB MedChem
41568,C[NH2+]C(C)C1(C(C)Nc2cnon2)CC1,0,GDB MedChem
44024,C#CC1C(N)C[NH2+]C1CCCOCC(O)CC,0,GDB MedChem
53625,CCC#CCCC([NH3+])C12CC1OCC2C,0,GDB MedChem
109696,C#CC1CC(CC(C)C)OCC12CCCCC2,0,GDB MedChem
352404,CCC1=CCC=C2C(=C1)CC=C1CC[NH2+]C12,0,GDB MedChem
215898,CC1OCCNC2C([NH3+])CC12,0,GDB MedChem
149468,O=C1NC(C2(CCO)COC2)CO1,0,GDB MedChem
340079,CCC1[NH2+]CC(O)C1(O)C[NH3+],0,GDB MedChem
250795,CC(C)C1CCC1n1cccc1,1,GDB MedChem
294058,CC1CCC1([NH3+])CCOC(=O)NC(C)(C)C,0,GDB MedChem
332799,CC([NH3+])C1(C2CC(=O)O2)CC[NH2+]1,0,GDB MedChem
211630,CCCCC(=O)n1cc(C)cc1N,1,GDB MedChem
174744,C#CC(=O)Cc1ccc2c(=N)c(F)ccc-2s1,0,GDB MedChem
164964,CCC1([NH2+]C)COCC(C#N)C2CC1OC2=O,0,GDB MedChem
113998,C1=CC2CC3(CCC3)C(CC1)O2,0,GDB MedChem
193356,CC(C)([NH3+])C1CC(O)CC2CC=CC1O2,0,GDB MedChem
182661,COC(C)C1=C(CO)CC2C(C)CC12,0,GDB MedChem
57550,CC[NH2+]C1CCCN(C)C(C)C1=O,0,GDB MedChem
349346,N#CC1CC2CC=C(C3OCCO3)C([NH3+])C12,0,GDB MedChem
71376,C[NH2+]C1CCC1C1(C)CC1C1CCC1,0,GDB MedChem
97638,C#CCCCCC1(C(C)(CC)CO)CCCO1,0,GDB MedChem
56057,CNC(=[NH2+])N(C)CCC1(N)CC1C#N,0,GDB MedChem
398288,CCC1OCC(C2(O)CCC[NH2+]CC2)O1,0,GDB MedChem
239708,CCC1C=C(NC=O)C2(CCCC2)C1,0,GDB MedChem
371852,C#CCC(C)C1(CC)C[NH+](CC)CC1CCC,0,GDB MedChem
45446,CC[NH+]1CC(CC2CC2)C1,0,GDB MedChem
93910,C#CC1=CCC(=O)C2=CCC(CC#N)C2=C1,0,GDB MedChem
296958,CC1=CCC#CC2CC2C=CC12CCOC2,0,GDB MedChem
93937,C#CC1(CC)CC(C)=CC(C(C)C)CC[NH2+]1,0,GDB MedChem
343088,C=CC1C[NH+]2CC=C3C(C)CC1C32,0,GDB MedChem
68815,C[NH2+]C(C)CCCC([NH3+])(CO)C1CC1,0,GDB MedChem
50841,CC1C(=O)CC1(O)C(CO)[NH+]1CCCC1,0,GDB MedChem
223384,Cc1ccc(CC#CC[NH3+])s1,0,GDB MedChem
311228,C#CC(C)(C)CC1C[NH2+]C2CC12C(C)(C)[NH3+],0,GDB MedChem
277479,C#CC(C[NH3+])C(C)CCO,0,GDB MedChem
300892,N#CC12CCC1CNCC(=O)OCO2,0,GDB MedChem
103570,COC1C#CCC(C)([NH3+])CCOC1=O,0,GDB MedChem
32812,CCC(=O)C1OC2CC=CCCC=C1C2=O,0,GDB MedChem
14771,COCc1cocc1C1CCC2=CCCC21,0,GDB MedChem
397235,O=C1NC2=CCCCC2C2(CC2O)C1=O,0,GDB MedChem
219852,CC(CCC#N)[NH+](CC1CC1)C1CC1,0,GDB MedChem
311246,CCCC1=CC2C3CCC3N(C(C)=O)C2C1,0,GDB MedChem
238256,C#CC1=CC([NH3+])CCC2C(C)C2(CC)C1,0,GDB MedChem
362106,C#CCCCC1CN(C(=O)OC)CC(C)C1[NH3+],0,GDB MedChem
80841,CCCCCC1=CCCC=CC2(COC2)C1,0,GDB MedChem
25589,C[NH2+]C1C(O)C1C(=O)CC1CC1,0,GDB MedChem
326801,CCOC(C)C(=O)C1C(CC)OCCC[NH+]1C,0,GDB MedChem
7022,C#CC(C(O)CC[NH3+])C12CC1NC(=O)O2,0,GDB MedChem
139355,CCCCOc1[nH]c(=[NH2+])[nH]c1CCO,0,GDB MedChem
285882,CCC(O)C(CC)CCCC(=O)NC,1,GDB MedChem
84607,O=C1C[NH+]=C2NCCCN2C1,0,GDB MedChem
135542,CCOC1COC(=O)C1NC(=[NH2+])N(C=O)CC,0,GDB MedChem
290679,CC1C[NH+](C2C=CCC2O)CC=CC(=O)O1,0,GDB MedChem
139187,CC(C)CC1OCCC(Nc2cccs2)C1O,1,GDB MedChem
253143,Cc1cc(C)c2c(c1)CC[NH2+]CC2C(C)C#N,0,GDB MedChem
14988,CCC(C[NH3+])C(C#N)(CC(C)CO)NC(C)C,0,GDB MedChem
110145,C#CC(C)(O)C[NH2+]CCC,0,GDB MedChem
221886,C[NH2+]C(CO)C(C)OC1CC1,0,GDB MedChem
365264,CC1=CC=C2CCC2C(O)C2(C)CC12,0,GDB MedChem
232825,CC1=Cc2ccccc2CCCC1=O,1,GDB MedChem
319281,C[NH2+]CC(=O)c1cc(CO)c(C)[nH]1,0,GDB MedChem
122771,CC[NH+]1CCCCCC(CCC(C)C(C)C)C1,0,GDB MedChem
56206,CCC1C(C)C2C=CC(C2)C1C,1,GDB MedChem
525,[NH3+]CC(C[NH3+])Oc1cnc(C2(O)CC2)s1,0,GDB MedChem
301876,C[NH2+]CC1(O)CC1C1NC(C)C1=O,0,GDB MedChem
144486,C#Cc1c(CC)nc2coc(CCC)nc1-2,0,GDB MedChem
78249,C=C1C[NH2+]CCC1C=C(C)C1CC1,0,GDB MedChem
175182,C[NH2+]CC1NC(=O)C=CC=C1C(C)[NH3+],0,GDB MedChem
143014,C[NH2+]CC=CCC(CCNC=O)=NO,0,GDB MedChem
66866,COCCCC#Cc1cc([O-])n[nH]1,0,GDB MedChem
236518,CN=c1scc2c(c1C)C=CC=CC2CO,0,GDB MedChem
332085,C#Cc1coc2sc(-c3sccc3CC)cc12,1,GDB MedChem
124648,C#CC1=CC=CCCC=CC1O,0,GDB MedChem
62890,C#CC1(C)CC2=CCCCC(O)C=C(C)C21,0,GDB MedChem
113321,COc1c(C)oc2c(C)c(C)nc(C)c12,1,GDB MedChem
295081,CC1OC(=O)C1(N)C(C)(C)O,0,GDB MedChem
127323,C[NH2+]CC12C(C)COC1C2[NH2+]C,0,GDB MedChem
392320,CCCC(C)(O)C1=C(C)CCC1,1,GDB MedChem
40974,C[NH+]1CC=CC2(CCC2O)C1,0,GDB MedChem
223391,CCC1[NH2+]C(CCO)(CCO)C1C,0,GDB MedChem
161584,COC(CC#N)C1(O)C(C)C1O,0,GDB MedChem
41919,COC1CCC2CC(C)(C=C(C)C2=O)C1,0,GDB MedChem
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81804,CC1CCCC(C2CCC2)CC#CC(O)C1,0,GDB MedChem
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71380,O=C1C=C2COC(=O)C2C#CC2[NH2+]CC2N1,0,GDB MedChem
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228113,C=C(C(=O)[O-])C1COC1C(N)C[NH3+],0,GDB MedChem
66381,CC(C)C1CC2=CCC(=O)N21,0,GDB MedChem
270007,C=CC1CCC(C(C)C2CC2)[NH+]1C,0,GDB MedChem
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372922,CC1=CC(=NO)CC2=CCCC(C)(C)C=C12,0,GDB MedChem
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368982,CCC1(C)CC(C(NCC[NH3+])C(C)C)C(C)[NH2+]1,0,GDB MedChem
139315,C[NH2+]CC(=O)C(COC)COC,0,GDB MedChem
52121,CC1(C)CC2NCC(=O)NC21,1,GDB MedChem
128525,CCC(O)(CC)c1occc1CO,1,GDB MedChem
101836,CC(=O)C(C)(C)CS(=O)(=O)N(C)C1CC1CO,1,GDB MedChem
211869,CC1C2COCCNC(=O)C1(N)C[NH2+]2,0,GDB MedChem
381379,[NH2+]=c1[n-]c(=[NH2+])c(CC2CC([NH3+])C2)co1,0,GDB MedChem
167001,CC1OCOC2CC12[NH2+]CC(O)CO,0,GDB MedChem
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391976,CCNC(NC)=[NH+]C,0,GDB MedChem
164910,CCc1coc(CC(=O)n2ccnc2CC)c1,1,GDB MedChem
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217884,Cn1ccc(OC2CC[NH2+]C2)c1,0,GDB MedChem
139180,CC1=CCC2CC2CC1C(O)CC(N)=O,0,GDB MedChem
62316,Cc1cnoc1C(=N)N(C)CC#N,1,GDB MedChem
384357,CC1=CCc2ccc(C)cc21,1,GDB MedChem
55951,C#CC(=C)[NH+]=c1[n-]nnn1CCC,0,GDB MedChem
36598,CCCC(C(C)C)C(O)(CC([NH3+])CC)C(C)C,0,GDB MedChem
207144,C#CCC([NH2+]C)C1(NC=O)CC1,0,GDB MedChem
138037,C#CCNC12CC([NH3+])COC1CC([NH3+])C2,0,GDB MedChem
218178,C1#CCC2OCC(C=C1)C1C[NH2+]CC21,0,GDB MedChem
389889,C#CCCn1nc2c([O-])cc(C)cc2c1C#N,0,GDB MedChem
179721,CC1CC2CC=CC2C2CC[NH+]12,0,GDB MedChem
336894,CC1CC2CC(=O)N(C)CC(O)C1(CC#N)O2,0,GDB MedChem
33415,CC(=O)C1=C2C(O)CCN2CCCC1(C)C,0,GDB MedChem
209206,N#CCC(O)C1([NH3+])C(O)CCC1O,0,GDB MedChem
320353,CC1CC=C2CCC(OCO1)C2O,0,GDB MedChem
292390,CC(C)c1nn[nH]c1CCOCC[NH3+],0,GDB MedChem
300631,CCCOC1OCC2C=C1C[NH2+]CCC2,0,GDB MedChem
384894,C=C(C)C(=O)C#CCCCCC#N,1,GDB MedChem
68599,C1#CCCC2=CC[NH2+]CCC2CCC1,0,GDB MedChem
303148,CCNc1nc(N)cn(C(C)C[NH3+])c1=O,0,GDB MedChem
203040,C#CC1C(=O)CC2CCCCC[NH2+]CC21C,0,GDB MedChem
309764,O=C([O-])C(=O)C12CC(O)CCC(CC1=O)N2,0,GDB MedChem
57336,[NH3+]C1CC1CC1CC1CCO,0,GDB MedChem
169987,CC(O)C(C)C1(C#N)CC1C,1,GDB MedChem
226629,CC1=CC(CO)CC(=O)C12CC2,0,GDB MedChem
6169,C#CC(=N[O-])C1(O)CC(=O)C1C(=C)C,0,GDB MedChem
62261,CC(C)C1(CCC(=O)[O-])CC1,1,GDB MedChem
330699,CC1C[NH2+]C(C)C(C)(C)C[NH2+]1,0,GDB MedChem
279003,CC([NH3+])C(N)C[NH2+]CC(O)C(C)CO,0,GDB MedChem
104116,Cc1[nH]c(C(=O)CO)cc1C#N,1,GDB MedChem
7531,C#CC(=O)NC1(C(C)C(C)[NH3+])CC1C,0,GDB MedChem
358777,Cc1noc(=NCC(C)O)cc1N,0,GDB MedChem
29281,CC([NH3+])C1CC(C)C(C)(O)C1,0,GDB MedChem
40065,C#CC(C)C(CC)C1(NC=O)CC(CC)C1,0,GDB MedChem
78100,CCCCC(C[NH2+]C(C)CC(=O)[O-])CC(C)[NH3+],0,GDB MedChem
332009,Cc1ccc2cc(C3COC(C)C3)c(C)c-2[nH]1,0,GDB MedChem
53581,[NH3+]C12CCN(CC1)C2C(O)CO,0,GDB MedChem
10351,CN1CC2(CC=CC(=NO)CCC(=O)N2)C1=O,0,GDB MedChem
168900,C#CC1C=CC2CC1C(S(=O)(=O)[N-]C=O)O2,0,GDB MedChem
22315,Cc1ccc2c(n1)C(C)CC2,1,GDB MedChem
245951,CC1CC2CC(C3COC3)C12,0,GDB MedChem
359839,CC(=O)n1ccnc1C1NC(C)C1=O,0,GDB MedChem
372904,CCC1=CC2C(C(C)C)C2(CO)COC1,0,GDB MedChem
343766,Cn1c(CNC=O)nc2ccc(CC[NH3+])nc21,0,GDB MedChem
251614,CC1=CC2CCC3(C=C1C)CC23,0,GDB MedChem
182977,CC[NH+](CCCO)C1C(C)C1C[NH+](C)C,0,GDB MedChem
128341,NCC(=O)OC(C(O)CO)C1CC([NH3+])C1,0,GDB MedChem
309746,C#CC1C(=O)C(C)C2OCC(C)(C)N1C2C,0,GDB MedChem
45427,CCN1C(=O)NCC12COC2C,1,GDB MedChem
19860,CCCCOC1(C)CC(C)C(C)=C1C#N,0,GDB MedChem
211089,CCC#CC1C(C)CC1C,1,GDB MedChem
320220,C#CC(CC(C)CC[NH+](CC)CC(C)C)[NH2+]C,0,GDB MedChem
66888,CC1=C2C(C)C(CO)NC2(C[NH3+])CC([NH3+])C1,0,GDB MedChem
206117,CC1=CCOC(C(C)[NH+]2CCC2)OC1,0,GDB MedChem
193364,C#CC1(CC)CC1C(OC)C(C)(C)O,0,GDB MedChem
154170,N#CC1OC(C2C=CCC2)OCC1=O,1,GDB MedChem
8803,CCCC(O)(CC)C(O)CC[NH3+],0,GDB MedChem
32270,COCC1CC(C#N)OCc2ncc(=O)sc21,0,GDB MedChem
2057,C#CC1CC(N(C)C=O)CCC=C2C[NH2+]C21,0,GDB MedChem
14722,C#CC1(O)C([NH3+])C=CCC1C,0,GDB MedChem
281499,CC(CCC#N)Cc1cncc2c1CC(C)C2,1,GDB MedChem
319494,C=C1CCC2=CCCC(C)(O)C2C1,0,GDB MedChem
332751,CC([NH3+])C1(O)CC(CO)[NH+](C)C1C,0,GDB MedChem
71033,CCC1(C2=CC3COCCC(C)=C3C2)CC1,0,GDB MedChem
156448,CC[NH2+]CCOCC(O)CO,0,GDB MedChem
19000,CCc1cc(C)cc(O)c1CO,1,GDB MedChem
23119,OCC1OCc2cscc2CO1,1,GDB MedChem
67262,C#CC(C)Oc1csc(C(C)(C)C)c1,1,GDB MedChem
146229,C[NH2+]CC(C)C1(O)COC1C[NH3+],0,GDB MedChem
52419,C#CC(=O)CCCCC1([NH2+]C)CCC1,0,GDB MedChem
142975,CCC(C)(C)C12OC(CC1C)CC2CC(C)C,0,GDB MedChem
10126,CCC1C=C(C)CCC2(CCC2C)[NH+]1C,0,GDB MedChem
282114,CC(=O)C1CC(=O)C2CCCC(=O)CC1N2,0,GDB MedChem
321367,C#CC(C)(CO)C1CC(C)(C)[NH+]2CC1CC2C,0,GDB MedChem
2074,C1CC23C[NH2+]CC2NCC3[NH2+]1,0,GDB MedChem
236901,CC1=CC23C=CC(C)CC2C3C1,0,GDB MedChem
355539,[NH3+]CC1CCN(CCO)Cc2[nH]c(c[nH+]2)NC1,0,GDB MedChem
113988,CC1(C[NH3+])C(N)C([NH3+])C1N,0,GDB MedChem
151873,OCC[NH2+]CCCn1cc(O)c(O)c1,0,GDB MedChem
102829,[NH3+]C12CCC3CCOC1C3CC2,0,GDB MedChem
340274,C#CC(OC)C(C)CCC(C)C,1,GDB MedChem
358015,CC1C=CCC=C(C[NH3+])C1(C)CC(=O)[O-],0,GDB MedChem
227182,CCCc1noc(C2CC2)cc1=NC,0,GDB MedChem
52594,C[NH2+]CC1C(OC)C([NH3+])C=C(CO)C12CC2,0,GDB MedChem
183763,C#CC12CCC(O)CCC1=CCCC2=NO,0,GDB MedChem
316887,C#CC1=CC(C)=CC(C)=C2C(C)=CCC12O,0,GDB MedChem
89602,C#CCC(CO)(c1cscc1C)C(C)C,0,GDB MedChem
160209,C=C1COCC=C1CNCC[NH2+]C,0,GDB MedChem
279054,CC(C)(C[NH3+])C1CC2C[NH2+]CCN1C2(C)C#N,0,GDB MedChem
123572,C#CC1CCCC1N(C)C1C(=O)CC(C)C1=O,1,GDB MedChem
305626,C[NH2+]C12CCC1NCCC2C,0,GDB MedChem
6357,O=C1CNCC=C1C1[NH2+]C2C=CCC1C2O,0,GDB MedChem
256837,CC1=C(C)CC2(C(C)C)CCC(=O)N2C1,0,GDB MedChem
245678,CC1(C)C(=O)[N-]C(=O)C1C#N,0,GDB MedChem
262876,CC1=CCOC2(C)CCC=C2CC1C,0,GDB MedChem
35635,CCC12CCC(C[NH+]1C)C2,0,GDB MedChem
123324,C#CCCc1cc2c([nH]1)C(C(C)[NH3+])OCCC2,0,GDB MedChem
277235,C#CC1C2C(=O)N(CC)CCCC12C,0,GDB MedChem
199000,CC#Cc1nc2ccc3c(c2n1C)CC=C3,1,GDB MedChem
303154,CC(=NO)C1C(C)C2COC(=O)C1N2C=O,0,GDB MedChem
144181,CCC1(C(N)=O)CCC(=O)N1,1,GDB MedChem
360205,C[NH2+]C1CC12CC([NH3+])CC2N,0,GDB MedChem
55888,C#CCC(=O)C1(C)CCC(C)=CC(C)=C1C,0,GDB MedChem
222965,COC(C[NH3+])C1(N)CCC2CC2[NH+](C)C1,0,GDB MedChem
323668,C1=CC(c2cn[nH]n2)C2=CCCOC2C1,0,GDB MedChem
307309,CCC1C2C(C)OC(=O)C12C#CCO,0,GDB MedChem
216773,CCc1cc(Cl)c(C)c2c1CCOC2C(C)C,1,GDB MedChem
128189,CC#CC1C(C(C)C)C1C(C)C,1,GDB MedChem
94579,CN1CC(O)C1C#CC(O)C[NH3+],0,GDB MedChem
168921,CCCC(O)CCc1cnoc1,1,GDB MedChem
143936,CS(=O)(=O)C=C1CCCC2C(O)C2C1,1,GDB MedChem
240579,CC1C2C=CCC(CC=C2)C1[NH3+],0,GDB MedChem
237856,CC(C)C1CC(C2C3COCC32)C=C1CO,0,GDB MedChem
242462,CC#Cc1occ(C)c1OC,1,GDB MedChem
312588,CC[NH2+]CC(NCC[NH3+])C(C)OC,0,GDB MedChem
296907,CC1CC=CC2CC2(C)C(=NO)CCCCC1,0,GDB MedChem
22324,Cc1cc2oc3c(c2o1)C(=O)CCOCC3C,0,GDB MedChem
12330,C#CCc1oc(=N)oc1C#N,0,GDB MedChem
233801,C#CCC1CC=C(C2CC(C)C2)COC1,0,GDB MedChem
301718,CC(C)c1ccc(N)n1C(C)C1(C)CCCC1,0,GDB MedChem
369437,C#CC1=CC2OC1(C)CC2C,1,GDB MedChem
234675,CC1OC2C(CC(=O)[O-])[NH2+]C12,0,GDB MedChem
16170,CC([NH3+])C#CC(C(C)C)C1CC[NH2+]C1,0,GDB MedChem
86213,CC1CCCCCCC2[NH2+]CC2(C(N)=O)N1,0,GDB MedChem
141369,CC1C(=O)C(=O)C(CO)C(=O)N1C,0,GDB MedChem
22314,CC([NH2+]CCOCCC(C)(C)O)C1CC1,0,GDB MedChem
296946,C#CC(CC[NH2+]C(C)CC(C)C[NH2+]C)C(C)C,0,GDB MedChem
104860,CC1C=C2CC(=O)OC2C#CC(=O)CO1,0,GDB MedChem
86658,CC1=C(CO)CC(=O)C2C1C2C(O)C=NO,0,GDB MedChem
234074,C[NH2+]CC1CC(C(C)[NH2+]C)C=C1C,0,GDB MedChem
96606,CCOC(C)(C)C1=C(CC)CC(C#N)CC1,0,GDB MedChem
286777,COC1CC(C)C2C(=C1C)C(C)=CC2[NH3+],0,GDB MedChem
251652,CC1CC=CC12CC2C(C)(C)CCO,0,GDB MedChem
39149,C#CC1=CC2CC=C(CO)C2C1,0,GDB MedChem
384702,CCC(C#N)C12CCOC1C2,0,GDB MedChem
56115,C[NH2+]C1C(C#N)OC2CC21,0,GDB MedChem
35872,[NH3+]CCCC([NH3+])C#CCO,0,GDB MedChem
101861,CCn1ccc2c1C1(CC=CC1)CCC=C2,0,GDB MedChem
52497,CCC1(CC)C(C)=CCCC[NH+]2CC=C1C2,0,GDB MedChem
118771,C#CC1CC=C(C2CC2)C2C1=CCC2CO,0,GDB MedChem
287252,C[NH2+]CCCCC1C2OCOC12C,0,GDB MedChem
102543,CC[NH+](C)C1C(=O)NC2CC(=O)C2C1C,0,GDB MedChem
187284,CC(C#N)C1=CC(=O)NCCN1,1,GDB MedChem
62206,CC1C[NH2+]C2(CN(C)C)CC2C1,0,GDB MedChem
36353,NC1C2=CNC(=O)COC1CC=CC2[NH3+],0,GDB MedChem
275245,[NH3+]CC1C(=O)OC1(CO)CCC1CC1,0,GDB MedChem
196412,CC1C2CCC(C)(C[NH3+])[NH2+]C12,0,GDB MedChem
125385,CC#CCC1=CCC2(CC(=O)C2)C(C)C1,0,GDB MedChem
121319,CC1CC2(CO)C(C[NH3+])OC12,0,GDB MedChem
245229,CC1CCC=C2CCC=C21,1,GDB MedChem
217571,C=CC12OCC1C(C)CCC2CC,0,GDB MedChem
178191,C=C1CC=CC([NH3+])C12CCC2=CC,0,GDB MedChem
89869,O=C1CCCC2=CS(=O)(=O)C(C1)C2,0,GDB MedChem
33001,CC1C2OCOCCNC(=O)C12O,0,GDB MedChem
165564,CC#CC1(C(F)(F)F)CC([NH3+])C1NC,0,GDB MedChem
3522,C#CC1(C(C)OCC)CCCC1C,1,GDB MedChem
154592,CCCc1cn2c(c1NCC)C(CC[NH3+])CC2,0,GDB MedChem
381398,CN(c1cocc1N)C1CC=CC1O,1,GDB MedChem
33419,CCC(=O)C1COC(CC(C)C)CCN1C=O,1,GDB MedChem
364660,C#CC1C=CC([NH3+])(CO)C(CC[NH3+])C1,0,GDB MedChem
306077,C#CCC(CCO)c1ccc(C(C)C)cc1C,1,GDB MedChem
97332,CC(C)C(C)(O)CC1C[NH2+]C2CCCCC2C1,0,GDB MedChem
279582,CCC1=C(C(C)C)C2CC(C)(C(C)O2)C1O,0,GDB MedChem
22123,CCCCC(OCC[NH3+])C1CCO1,0,GDB MedChem
77471,COC1C2CC=CC(C2)C12COC2,0,GDB MedChem
169526,COC12CCCC(CCC1C)C2,1,GDB MedChem
207987,Cc1ccc(CC2CC3([NH3+])CCCC2C3)cc1,0,GDB MedChem
397196,CC(C)[NH+]1CCNC2(CC2)C1,0,GDB MedChem
56370,O=C1C#CC2(CC=CC2)CC2CC2C=C1,0,GDB MedChem
130799,CCC1=C(C[NH2+]C)C2C=CCC=CC1([NH3+])C2,0,GDB MedChem
243288,CC1=CCCCC2C#CCC=CCC1=C2,0,GDB MedChem
31498,CC1=CC=CCC(=C2CCCC2)C(=O)CC1,0,GDB MedChem
127438,N#CC1CCCC1CC1CC[NH2+]1,0,GDB MedChem
315687,N#CC(N)CC1=CCCC2CCC2=C1,0,GDB MedChem
178942,CC1CCC2(C)CC(C[NH2+]2)[NH2+]C1,0,GDB MedChem
232920,CC1=CCc2cc(c(C)o2)C#CC(C)(C)C1,1,GDB MedChem
319764,NCC12CC[NH+]1C(C1CC1)C[NH2+]C2,0,GDB MedChem
124438,CC1C=C(C2C=CCCC2)C2OCC=C12,0,GDB MedChem
201246,C#CC1C(=O)C(C)C=CC=C1C(C)CC,0,GDB MedChem
6322,C#CC1CCOC(C)C12CC2COC,0,GDB MedChem
375218,OCCCCC1C(O)CC2CC21,1,GDB MedChem
301122,C#CC1CC(O)C(O)C2=C1CC[NH2+]C2C,0,GDB MedChem
271253,C=CC1CC(=C)CC12CCOC2C,0,GDB MedChem
286022,C#CC1OCC2=CC(COCC2)[NH2+]C1CO,0,GDB MedChem
223603,COCC#CC(C)C(C)(C)C1CC=CC1,0,GDB MedChem
254766,C[NH2+]CCCOCCCCCNc1cc[nH]c1,0,GDB MedChem
264804,CC1CC1(O)C(O)C(C)(C)O,1,GDB MedChem
151450,C#CC1(O)C2C=C(CC)CC21,1,GDB MedChem
111861,C[NH2+]CC(O)C1(C[NH3+])CC(CO)N1C,0,GDB MedChem
83236,CC12CC1C(C#N)OCO2,1,GDB MedChem
8043,CCc1ccc2c(c1)CC1(CC2)CC[NH+]1C,0,GDB MedChem
163753,CNC(NC)=[NH+]CCC1OCC1[NH3+],0,GDB MedChem
139422,C#CC(=CC1C([NH3+])C1O)C(C)OC,0,GDB MedChem
210610,CC1=CC2(C)CC1CCCC=CC1CC1[NH2+]2,0,GDB MedChem
56167,CCC1=CC([NH2+]C)CC2(C)CC12,0,GDB MedChem
51598,CCC1COCCC(O)C1OCC(C)O,1,GDB MedChem
121025,C#Cc1ccc(CC([NH3+])(CN(C)C)C(=O)[O-])s1,0,GDB MedChem
348266,C=CC[NH2+]C1COC1C(=O)C(=O)[O-],0,GDB MedChem
210482,C#CC1(O)CCC1C1OCC1O,1,GDB MedChem
92982,CC(CO)C1Cc2c[nH]cc2C1c1ccoc1,0,GDB MedChem
223049,CC1=CCCC#CCc2[nH]ncc2C1,0,GDB MedChem
9332,Cc1sc2c(c1C#N)C(CO)[NH+](C)CCCC2,0,GDB MedChem
200276,CCCC(CC)CCC(CCOCC)C(C)C,0,GDB MedChem
331928,CCOC12C=CCCC(O)C1C2O,0,GDB MedChem
34524,CC(CNC=O)c1c(C(=O)[O-])c(N)coc1=O,0,GDB MedChem
102454,Cc1oc(=N)cc(C2CCC(C(=O)[O-])C2)c1C,0,GDB MedChem
394631,N#CC1CC=CC23CC2CC=C3C1,0,GDB MedChem
316821,CCOC1CC1C12CC[NH2+]C(C=C1C)C2,0,GDB MedChem
52069,C#Cc1cccc(NC)c1F,1,GDB MedChem
178204,CC1=CC(C[NH3+])OCC1CNc1ccco1,0,GDB MedChem
243311,C=C1C2CC(=O)CC3C=C(C)C1C32,0,GDB MedChem
201885,CCC(CCc1ncco1)OC,1,GDB MedChem
384349,C[NH2+]C(C)(C)CCC(C(C)C(C)C)C(C)(C)C,0,GDB MedChem
134109,CC1=CC2C=CCC=C2C2CC12O,0,GDB MedChem
128217,CC1C=CCC2=CC[NH2+]C3(CC3)C2=C1,0,GDB MedChem
170892,C[NH2+]CC12CCC1C([NH3+])CC2CCO,0,GDB MedChem
283608,CC(=O)N(C)C1=CC(=O)OCC=CC=C1,0,GDB MedChem
289588,CC1=C2CC3CC3C=C2CC1,1,GDB MedChem
361877,CC12C=C(CC#CCOC1)CC([NH3+])C2,0,GDB MedChem
196393,CC(=O)CCCC1(C(C)O)CCCC1,1,GDB MedChem
83386,CC(=O)c1nc(N(C)C)cn1C,1,GDB MedChem
245395,CC1CC2(C)CC(=O)C=CCCC12,0,GDB MedChem
211500,CCC1C([NH3+])CC(O)C1OC,0,GDB MedChem
139324,CCC=C1C(=O)C(C)C(=O)C=C1N,1,GDB MedChem
314287,O=C1C(O)C(=NO)C2C=CCC1(C1CC1)C2O,0,GDB MedChem
88889,[NH3+]C12C=CNC(=O)C(=C1)CC#CC=CC2,0,GDB MedChem
315392,CCCc1ncc(C#N)n1C1CC1[NH2+]C,0,GDB MedChem
239542,COCCCC(=O)Cc1cncc(C)c1O,1,GDB MedChem
24199,CC1C=C2CCCC=C2C1C1CC1C,0,GDB MedChem
232163,CC1=C(CO)CC(C)(C)CCC(C[NH3+])=C1,0,GDB MedChem
144024,CCCCN1C(CCC)C=CCC12C[NH2+]C2,0,GDB MedChem
305750,CCC1(CC[NH3+])CC(C)C([NH3+])CCCCC1O,0,GDB MedChem
386875,[NH3+]CCCC1CC(C(=O)[O-])[NH2+]1,0,GDB MedChem
212116,[NH3+]C1C=CCOC12CC1=CCCCC12,0,GDB MedChem
359016,CC(=C(CO)C[NH+](C)C)C1CC1C,0,GDB MedChem
137646,C#CC(O)C(C)Cc1c(CC[NH2+]C)ccn1C,0,GDB MedChem
286787,COCC1C=C2C(CO)C(C)C2CO1,0,GDB MedChem
249143,CCOCC1=C(C2C[NH2+]C2)CC(C)C1(C)C,0,GDB MedChem
52675,CC1C2COCC1C2C1CC1,0,GDB MedChem
226776,O=S1(=O)NC2CC=CC2C=CC1C1CC1,0,GDB MedChem
62217,CC1CC2(C=CC[NH+]2C2CCCC2)C1,0,GDB MedChem
366680,CC1CC2OCCC([NH3+])C2O1,0,GDB MedChem
268429,C#CC1C(=NO)C2C(C)C=CCN2CC1O,0,GDB MedChem
224439,C#CCC1(c2cnc[nH]2)CC([NH2+]C)C1,0,GDB MedChem
363374,C=C1CC(CCCC)(C(=O)[O-])C1C,0,GDB MedChem
129967,CCCC#CS(=O)(=O)c1ncccn1,0,GDB MedChem
59732,CC1OCCC2=CC3(C)CCC3=CC[NH2+]C21,0,GDB MedChem
41249,C=C(C)C(COCC)C(=O)COC,1,GDB MedChem
369578,CCC1[NH2+]CC(C#CCC(N)=O)=C1C,0,GDB MedChem
321177,CCC([NH3+])(C[NH3+])CCC1(CC(C)C)CCCC1,0,GDB MedChem
30819,[NH3+]C1CC1CN1CCNC1=O,0,GDB MedChem
14070,Nc1ncc(C2CC2)nc1O,1,GDB MedChem
244237,C#Cc1c(C(C)=O)sncc1=N,0,GDB MedChem
329849,CCC(NC=O)C(C)C(O)C[NH3+],0,GDB MedChem
294115,C#CC(C)NC1C(O)C1C(C)(C)[NH+](C)C,0,GDB MedChem
184622,C[NH2+]Cc1cc2csc(C(C)C)c2c(F)c1F,0,GDB MedChem
279601,CC1C2C=CC([NH2+]2)C1NCC#N,0,GDB MedChem
201179,C#CCOc1cc(C(C)(C)O)cs1,1,GDB MedChem
239593,C#CCNC(C#N)C(C)C([NH3+])CNC=O,0,GDB MedChem
306483,C=CC=C1CC2(COCC2=CC)C1,0,GDB MedChem
183523,[NH2+]=C1NC2CCC(CC3=CCC(=O)N3)(C2)N1,0,GDB MedChem
207146,C#CC(CCC)C1CC1O,1,GDB MedChem
156399,O=C1COCCC2=CC1[NH2+]C2,0,GDB MedChem
27845,CCC(O)(C[NH2+]C)C1CC1(O)COC,0,GDB MedChem
220827,C1=CC2CCCOC(C=C(C3CC3)C1)O2,1,GDB MedChem
101720,CCC(O)C(C)C(C)C(C)([NH2+]C)c1ccc[nH]1,0,GDB MedChem
191110,C[NH2+]C1CCC2CC2(C)C1[NH2+]C,0,GDB MedChem
143932,CC#CCCCC1=CCN2C1CS2(=O)=O,0,GDB MedChem
371026,C[NH2+]CC1(OCCO)CC(CC(=O)[O-])C1,0,GDB MedChem
181240,CC(NC1C(=O)COC1=O)C1COC1C,1,GDB MedChem
109650,CNc1nc[nH+]c(N)c1C1CC1,0,GDB MedChem
116272,CCC[NH2+]CC(O)C(N)CNC=O,0,GDB MedChem
187096,C#CCC(C)(CC)CCCc1c[nH]c(CC)c1,1,GDB MedChem
301078,CC1=CCC=CC(C#N)C=C1C,0,GDB MedChem
244260,CC(CO)C(O)C(=O)C1=CCOC1=O,0,GDB MedChem
15249,C#Cc1cc(CC)cc2cc(C[NH2+]C)ccc12,0,GDB MedChem
21607,CC1CC=CCC2OC(C#N)C2C1,0,GDB MedChem
178989,COCC12C[NH2+]CC1C(O)C2[NH3+],0,GDB MedChem
72778,OCC1C[NH2+]C2CC2C(O)CO1,0,GDB MedChem
84693,CC1=CC=CC(CO)CC1C,0,GDB MedChem
32814,[NH3+]Cc1[nH]c(CO)cc1C(O)C[NH3+],0,GDB MedChem
210545,CCC1COCC2C([NH2+]C)C12,0,GDB MedChem
255709,CCCCN(C)c1c[nH]c2oc(C)c(CC)c12,1,GDB MedChem
86646,C=C(C)CCC1=CC(C)(C)C(=NO)C1,0,GDB MedChem
200659,CC1C2CC[NH+](C)C1CCO2,0,GDB MedChem
52669,C[NH2+]C(C)(C)C1Cc2nc(co2)CCCCN1,0,GDB MedChem
278989,COC(C)C1(CC2CC(C)C2)CCC1,1,GDB MedChem
384313,CCCCN1C(=O)CC(C)([NH2+]C)C=C1C,0,GDB MedChem
96366,CC1CCC2CCC(C3NCC3=O)[NH+]12,0,GDB MedChem
35247,CC12C(=O)OCC1=CCCC2O,0,GDB MedChem
93335,COc1cc(C(C)NC2C[NH2+]C2)n(C)c1,0,GDB MedChem
359671,CN1C=C(C(=O)[O-])C(=O)C2[NH2+]CCC21,0,GDB MedChem
41668,C#CC(CC)C(C)(CC(C)(O)C[NH2+]C)[NH2+]CC,0,GDB MedChem
267810,N#CC1CCC2C=C3CCC3CCC2C1,0,GDB MedChem
241172,NC1=CC(=O)C=CS(=O)(=O)C1=C1CCN1,0,GDB MedChem
153863,C#CC1=C(CO)CC(O)c2occ([O-])c2C1,0,GDB MedChem
106834,CC(CO)C([NH3+])COC1C2COCC21,0,GDB MedChem
76328,CC(C1CC1)C(O)C1COCOC1CO,0,GDB MedChem
33384,C#CC1=C(CC)CC=C(C)C=CC1[NH3+],0,GDB MedChem
75742,C#CCC1CCC[NH2+]C2CC12,0,GDB MedChem
265743,C#CC([NH3+])CC(=C)C1C([NH3+])C1C=C,0,GDB MedChem
169736,CC[NH+]1CC(C(N)=O)=C(C)C1C(C)=NO,0,GDB MedChem
169682,CNC1(C#N)CC(=O)C(OC)C1,1,GDB MedChem
273570,[NH3+]CC1C(=O)OC2CCCC[NH2+]CC1O2,0,GDB MedChem
215910,CCC1Cc2c3c(c[nH]c2=[NH2+])CC(C)CC3C1,0,GDB MedChem
154183,[NH3+]C1CC2CC2CC#CC=Cc2sccc21,1,GDB MedChem
387824,O=CN1C2CCCC1C1(CC1)C2,1,GDB MedChem
208201,C#Cc1nc(N)nc2c1COC2CC,1,GDB MedChem
362427,O=C1CC(CO)N2C(=O)CNCC2C1,0,GDB MedChem
106277,CC1=CC2COCC1C(C)C1(CC1)C2,0,GDB MedChem
199306,[NH3+]CCC(O)C1(O)CC1CO,0,GDB MedChem
9115,CCCOC1C=C(C[NH3+])CCC=C1C[NH3+],0,GDB MedChem
154608,C#CCC1=CCCC2C(C)OCC2(O)C1,0,GDB MedChem
275232,CCOC1CC2(C)C=C3C(=CCC3C)C12,0,GDB MedChem
83369,[NH3+]CCC1=CCC=CCc2sccc21,0,GDB MedChem
237492,CC(C(=O)CCC#N)[NH+](C)C,1,GDB MedChem
212090,CCNC(=O)CCC([NH3+])C(C)O,1,GDB MedChem
373275,COC1CC([NH3+])C1(CO)OC,0,GDB MedChem
162367,COC1C(=O)C(C)OC1C,1,GDB MedChem
285162,CCN(c1c[nH]c(C[NH3+])c1)C1CC1C#N,0,GDB MedChem
194805,C=CC(C(=O)[O-])C1CC([NH3+])(C=C)C1,0,GDB MedChem
184764,C=C(CC1CC=C(C#N)C1)C(C)=NO,0,GDB MedChem
183765,CC1NC(=O)NC1c1cc(=O)ccs1,0,GDB MedChem
287578,CCc1c(C)cncc1-c1ccc(C)cc1C,1,GDB MedChem
153839,CC(CCN1CC(C)(C#N)C1)C1CC1,1,GDB MedChem
13740,CC1(O)CC=CCC=C1Cc1nncs1,0,GDB MedChem
340301,O=c1cc[c-]([NH2+]CC2NCC2O)c(=O)[nH]1,0,GDB MedChem
87196,Cc1c[nH]c(NC2CCCCC[NH2+]CCC2)c1,0,GDB MedChem
53645,C#CCC1=C(C)CCC1CC,1,GDB MedChem
336253,N#CC1NCC=CC1N1CC(CO)C1=O,0,GDB MedChem
358644,CC[NH2+]CC(CCO)(C(N)=O)C(C)C([NH3+])CN,0,GDB MedChem
130538,C#CC1(CCCC)CC(C)C1,1,GDB MedChem
189573,C=C1CC(C)C1(O)C1CC1C1CC1,0,GDB MedChem
226445,C[NH+]1CC2=C(C1)C([NH3+])CC2,0,GDB MedChem
247898,C#CC1(C2CCCC2c2cccs2)CCCC1,0,GDB MedChem
285430,CCC(C)c1cc(C)c(C2CCCC2)cc1F,1,GDB MedChem
285538,CC[NH2+]C1CC2C=CC1([NH3+])C2,0,GDB MedChem
133899,C#CC(=O)C(C)(C)c1nccs1,1,GDB MedChem
150730,O=CNCC1=CC(O)CC1,1,GDB MedChem
144891,CC1(C2=CC=CC(CO)=CC=C2)CC1,0,GDB MedChem
371833,C=C1CC(=O)N(C=O)CC(C)([NH3+])C1,0,GDB MedChem
193392,CCn1c(C)cc2c(C)nc(CO)nc2c1=O,1,GDB MedChem
23246,C#CC1=CCCc2c[nH]c(C)c2C=CC=C1,0,GDB MedChem
94321,CC1CC1C12CCC(C1)OC2,0,GDB MedChem
340265,CCC(=O)C(OC1CC1)C1=C(C)C[NH2+]CC1,0,GDB MedChem
201923,CC(CCCO)CC1C[NH2+]CCO1,0,GDB MedChem
397637,NC(C[NH3+])C1COCC(O)C1,0,GDB MedChem
266766,[NH3+]C1C(O)COC12C=CCO2,0,GDB MedChem
240587,CC#CC1(O)COC2CC2C1,0,GDB MedChem
187130,CCC=C1C=CCC(C)C1(C)CO,0,GDB MedChem
317899,CCCC12CCC1=CCCC=C2CO,0,GDB MedChem
361850,C#Cc1[nH]c(NCC(C)CC)cc1N,1,GDB MedChem
204068,[NH3+]CC1(C2CC2)C(O)C2C=CCC21,0,GDB MedChem
123970,C=C1C(C#N)=CC([NH+](C)C)C1(C)C,0,GDB MedChem
242478,CC#CCCC(C)(C#N)c1cc(O)[nH]c1C,0,GDB MedChem
375264,NC(=O)C#CC1C(=O)C2COC1C2,0,GDB MedChem
51170,C#CC(CC)(CO)CC(C)C(CO)C(C)CC,0,GDB MedChem
9056,[NH3+]CCCCc1c[nH]c2c1Cc1c[nH]cc1-2,0,GDB MedChem
122595,CC1C(N)C(CCO)[NH+]2CCCCC12,0,GDB MedChem
273595,CCC(O)C1C2CNC(=O)C21,1,GDB MedChem
357024,CNC(=O)CNCc1conc1CC#N,1,GDB MedChem
38318,C#Cc1ccc(Cl)c(CO)c1O,1,GDB MedChem
319728,[NH3+]CCC1C=CCCOC(=O)C1,0,GDB MedChem
73575,CC1=CNC(=O)NC1CC12CC[NH2+]C1C2,0,GDB MedChem
373069,CCCC(CC)Nc1ccc(C)nc1C(C)C,1,GDB MedChem
48412,CC1=CCC2C=CCC(C)C[NH2+]C12,0,GDB MedChem
375927,CCC(C)([NH3+])C(C[NH3+])C(N)C(N)C[NH3+],0,GDB MedChem
140438,CC12CCOCC1C(=O)C2,1,GDB MedChem
153110,C=C1CC2=C(C)COC(CO)C2C1,0,GDB MedChem
22887,CCc1c(NC)nc(O)c(CC[NH2+]C)c1C,0,GDB MedChem
56864,CC1CC1OC(C[NH3+])(CCCO)C(C)O,0,GDB MedChem
299847,Cc1cc2[nH]cnc2c(F)c1F,1,GDB MedChem
63498,CC(CC1(CO)CC1C(=O)[O-])=NO,0,GDB MedChem
305706,C#CC(C)CC(C#N)C1CCC(CCC)CC1,1,GDB MedChem
219810,C#CC(C)C[NH+](C)C1(C)COC(C[NH3+])C(C)C1,0,GDB MedChem
41957,C#CCCC1C([NH3+])CCCC2CC21,0,GDB MedChem
276008,C#CC(C)CC1(CNC=O)OCC1C#N,0,GDB MedChem
192688,CC1=CCC2C(=O)CN2C2(C=CCC2)C1=O,0,GDB MedChem
90203,CC(O)CC1[NH2+]CC12CCC(=O)CNC2,0,GDB MedChem
211022,CCC12C=CCOC(C[NH2+]1)C2,0,GDB MedChem
275269,Cc1occc1C1CC=CC1,1,GDB MedChem
195947,C#CCCC(C=NO)(CCO)CC(C)C#N,0,GDB MedChem
381556,CC1CCCC12CC[NH2+]CCC1CCOCC12,0,GDB MedChem
140222,CCc1cc(Cl)c(N)c2c1C1CC1CCC2,1,GDB MedChem
489,CC1=CCC=CC2CC1[NH+](CC(C)C)C2,0,GDB MedChem
144955,CCCC1[NH2+]CC(=NO)C12NCC=C2C,0,GDB MedChem
199981,Clc1cccc2c1C=CCC[NH2+]C2,0,GDB MedChem
359698,CC1=C(C#N)CCC12CC=CC=CC2,0,GDB MedChem
369198,CC(C)(C[NH3+])OCCC1=CC2(CC2)OCC1,0,GDB MedChem
396050,CC(C)(C)C1C(O)C1C(C)(C)C#CS(C)(=O)=O,0,GDB MedChem
223002,CCC1CC2(C)C#CCC(C)CC(C=C2)O1,0,GDB MedChem
105148,CC#CC([NH3+])C(CCO)NC=O,0,GDB MedChem
90,CCC1CC(O)C(CCCC(C)C(C)C)C[NH2+]1,0,GDB MedChem
293535,NC(=O)C1C2[NH2+]CC=CCC(=O)C(O)C21,0,GDB MedChem
301768,C[NH2+]CC(=O)C(OC)C1(C#N)OCC(=O)C1O,0,GDB MedChem
273719,C#CC1CC2(C3=CC([NH3+])CC3)C=CCC12,0,GDB MedChem
127445,CC(Cn1ccc(C(C)[NH3+])c1)OCC#N,0,GDB MedChem
94306,O=C1CC(=O)OCC2C(=O)CC2N1,1,GDB MedChem
302878,CC1COC(=O)OCC2C(=O)NC12,0,GDB MedChem
192002,[NH3+]CC1=CC([NH+]2CCCC2)CC1,0,GDB MedChem
235748,Cc1coc(C(C)C2(C)CC=CC([NH3+])C2)n1,0,GDB MedChem
24355,N#CC12C=CC(CCOCOCC1O)N2,0,GDB MedChem
86777,CC1=CC2=C(C=CCCC2)CCCC(=O)C1,0,GDB MedChem
280965,C#CC1CCC[NH+](CC)CC1(N)CC(N)=O,0,GDB MedChem
307453,CN1CC=C(CO)NC1=[NH+]CC(C)(C)C,0,GDB MedChem
91442,C=C1C=CC(C2CC2CC[NH3+])=C1C,0,GDB MedChem
81871,O=C1C=CCCOCC=C1,1,GDB MedChem
355225,CCCCC(CCC[NH3+])CC(CC)C(C)CO,0,GDB MedChem
13367,CCCCOC(C)C1=CCCCNC1=O,0,GDB MedChem
99210,C#CC1C=CCCC1(O)CC,0,GDB MedChem
4484,C#CC(C)(C(C)=O)C1CC[NH2+]C(C)(C)CO1,0,GDB MedChem
16894,C#CC1=CC=CCC2=C(C1)N=CS(=O)(=O)[N-]2,0,GDB MedChem
46998,CC(O)CC1(C)CN(C)c2ccccc2C1=O,0,GDB MedChem
147515,CC1CC=C(C[NH3+])C1([NH3+])C1CC1O,0,GDB MedChem
117768,[NH3+]CC12COCC(N1)C2C1CC[NH2+]1,0,GDB MedChem
285675,CC1CCCCC12CCC1C=CC([NH2+]2)C1=O,0,GDB MedChem
118776,CCCNc1c[nH]c(=O)n1Cc1cnccn1,1,GDB MedChem
39570,CC1=CC(C([NH3+])C(C)C)C(O)C1O,0,GDB MedChem
83355,C#CC(CC[NH3+])(CNc1ccsc1C)C(C)O,0,GDB MedChem
258935,O=C1C=C2COC(C=CCC1)C2,1,GDB MedChem
63234,C#CC1CNC(=[NH2+])c2cccc(O)c2C1O,0,GDB MedChem
322546,CCC1CC(C[NH3+])OC12CC(COC)C2,0,GDB MedChem
332296,CC#CC1CC(C)CCC(CCC#N)C1,0,GDB MedChem
176388,C[NH2+]C1CC(O)C2COCOC1(C[NH3+])C2,0,GDB MedChem
253024,C#CC1C2=CCC=CCC2C1OC(C)CC,0,GDB MedChem
321314,CCC([NH3+])C(O)c1nccs1,1,GDB MedChem
240674,COC1(C[NH3+])CC(C(C)C)=C(C)CC([NH3+])C1,0,GDB MedChem
19080,CC1=CC2NC(C)(C#N)CC(=O)C=C2NC1,0,GDB MedChem
250331,CC([NH3+])C1=C2C(CO)CC2C(C)(O)CC1,0,GDB MedChem
5949,C#CCCCCc1ccc(C)cc1COCC,1,GDB MedChem
240693,C[NH2+]C(C)COC1COC(C(CO)NC=O)C1,0,GDB MedChem
306470,[NH3+]CC12C=C(C#CCO)CC1C2,0,GDB MedChem
171420,C#CC(C)(C)CCC(C)(C)[NH+]1C(C)CCC1C,0,GDB MedChem
92211,CC1CCN2CC=CC3CCC3=CN1C2=O,0,GDB MedChem
292419,CCCN(CC#N)C(C)C(N)=O,1,GDB MedChem
245239,C[NH2+]CC1CCOC(C)CC1,0,GDB MedChem
35361,C#CC1C([NH3+])C1C([NH3+])COC,0,GDB MedChem
391922,C#CC([NH2+]C(C)CC[NH3+])C1OC(C)C1(C)C,0,GDB MedChem
213560,CCc1c[nH]cc1OC(=O)CCCCCCO,1,GDB MedChem
206465,CC1=C2CCCC(=NO)C=C2CC1O,0,GDB MedChem
331063,CCC12CCC(C)[NH2+]CC(C1)NC2C#N,0,GDB MedChem
183967,C#CC1=C2CC=CC=CC(C1)OCC2,0,GDB MedChem
297969,COC1C=C(C2(C)CC2)CC1,1,GDB MedChem
339482,CC#CC(CCC)C1CC(C)=C(C)C1=O,0,GDB MedChem
373039,OCC1=C(C2=CC3(CC2)CC3)C=CCC=C1,0,GDB MedChem
216824,C#CCC(C)C(=NO)C(=O)NCC[NH+]1CCC1,0,GDB MedChem
123730,CC1=CC(=O)CC2=C(C=NO)C[NH2+]CC12C,0,GDB MedChem
90155,CCC1(C(C)[NH3+])CCC(C)C=CCO1,0,GDB MedChem
192445,C#CC1CCNC(=O)CC(=O)C=CC(C)O1,0,GDB MedChem
151466,CN1C=C(C[NH3+])CC=CC1=O,0,GDB MedChem
238252,CC1CCCC1(CO)C(N)C([NH3+])C(C)(C)C,0,GDB MedChem
116857,C#CC1(N)CCCCN(C=O)C1=O,1,GDB MedChem
244227,CCCC1=C(C#N)COC12CC2,0,GDB MedChem
285254,CC(C)C(CC([NH3+])CO)C1(C)C[NH2+]C1,0,GDB MedChem
86358,CC(=NO)C1NCC2[NH2+]CC21,0,GDB MedChem
176373,O=C1CC(CO)=CC(O)C1c1ccco1,0,GDB MedChem
343843,CCC1(C(CCC#CC#N)C[NH2+]C)CC1,0,GDB MedChem
223858,N#CC(C1=CC2CC2C1)S(=O)(=O)[O-],0,GDB MedChem
124939,COC1OCC(=O)NC(C)=CC1CC(C)=O,0,GDB MedChem
209198,NC=C1C(=NO)C[NH2+]CC2OCCC12,0,GDB MedChem
69288,O=C1C=C2CCC(C=NO)[NH2+]CCC2C1=O,0,GDB MedChem
306697,CC(C)(O)C[NH2+]CCCNC(N)=[NH2+],0,GDB MedChem
82258,CCN1CC(C2(CC)CC(C)C[NH2+]2)C1,0,GDB MedChem
243293,CC([NH3+])CN1CC2[NH2+]CC21,0,GDB MedChem
63905,CC[NH+](C)CC(C)C(C)O,0,GDB MedChem
289691,CC(C)C1CCCC([NH3+])C2(CCCC2)CC1C,0,GDB MedChem
210623,CC#CC(=O)CN(C)C1COC1,1,GDB MedChem
110826,CC(Cc1cnsn1)C1CC1c1cnsn1,0,GDB MedChem
175496,C=C(c1cc(=NC)nno1)C(C)[NH3+],0,GDB MedChem
255753,N#CCCC1C(=O)CC1NC=O,1,GDB MedChem
287296,CC(O)C([NH3+])C(C)CC(O)CO,0,GDB MedChem
262852,CC1=CC2=CCC([NH3+])(CC(C)=C1)C(C)=CC2,0,GDB MedChem
247993,C[NH2+]C(C)COCC1(C(N)=O)C([NH3+])CCC1[NH3+],0,GDB MedChem
195955,CC#CCC1=C(C)CCC([NH3+])C2C(C)C12,0,GDB MedChem
13600,CC(C)CCC1C=CC2CC(C)(O)C2=CC1,0,GDB MedChem
112708,C#CCC(CO)c1cccs1,1,GDB MedChem
343095,[NH3+]C(CO)CC12C[NH2+]C1C(O)CO2,0,GDB MedChem
58259,CCC(C)CCCc1ccc2c(C)nsc2c1,1,GDB MedChem
63895,CCC1=C(C([NH3+])CC)C(O)C(=O)NC1,0,GDB MedChem
86488,CC1=CCCC2CCCCCC2(C(C)[NH3+])C1,0,GDB MedChem
3,O=C1OCCC2[NH2+]C3CN1C23,0,GDB MedChem
294111,CCC1=C(CCO)C(C)[NH2+]CC=CC1,0,GDB MedChem
327392,C#Cc1oc(C(C)=O)cc1CC1CC[NH2+]1,0,GDB MedChem
302084,C#CCC(O)C(O)Cn1ccc(=[NH2+])cn1,0,GDB MedChem
10281,CC#CC12OC(C)C(CC1C)O2,0,GDB MedChem
25644,CCC(OC)C(C)(C)CCc1sccc1OC,1,GDB MedChem
360033,CC=Cc1coc2cncc(N)c12,1,GDB MedChem
344451,CCC1(C)CN(CCO)CC[NH2+]C1CO,0,GDB MedChem
37914,Cc1cc(C(C)NC=O)cc(F)c1F,1,GDB MedChem
156807,C[NH2+]CCn1cc2c(c1)C(C)(C(C)C)CCC2,0,GDB MedChem
111830,CC1COC2CCC[NH+]3CCC(C(C)C)(C1)C23,0,GDB MedChem
240872,COC1C=CC(C)C2CCC12,0,GDB MedChem
361915,CC(C)C1=CCC2CC(C)C1(O)C2[NH3+],0,GDB MedChem
102842,C=C1CCC2(O)CCC2C2C[NH2+]C12,0,GDB MedChem
353677,CCC[NH2+]C1CCC2CN(C)C(C[NH3+])C1N2C,0,GDB MedChem
283586,CCCC([NH3+])C(O)CNC=O,1,GDB MedChem
208621,CC(=O)N(CC[NH3+])C1CCC(C)C12CC2,0,GDB MedChem
191870,C[NH+]1CC(O)C2OC(C)(C1)C(=O)OC2CO,0,GDB MedChem
377463,CCC1=CC2C(C)C2COC1,1,GDB MedChem
127792,O=C1CNC1C1C=CC2CCC21,0,GDB MedChem
86441,CC1(CO)CC[NH+]1CCCC#N,0,GDB MedChem
376805,CC1=CC(C(=O)[O-])C2C(CO)OC12,0,GDB MedChem
174105,N#CC1C#CCC[NH2+]CCC1N,0,GDB MedChem
339679,CC1=CC(N)C[NH2+]C1C(=O)[O-],0,GDB MedChem
247982,CCOc1c(CC)csc1C,1,GDB MedChem
368359,C#CCOC(C)c1cnns1,1,GDB MedChem
73158,CC(C)C1=CC2CCC1C2(C)[NH+](C)CCO,0,GDB MedChem
295842,C#CC1[NH2+]C(C)C1(C(=O)CO)C1=CCCC1,0,GDB MedChem
169755,CN1CCOC(c2cnc(CN)o2)C1CCO,0,GDB MedChem
337599,CC(C)OC1COC2CC2C1C#N,0,GDB MedChem
228945,CC1=CCC=CC2=C(C=C1)Cc1occc12,0,GDB MedChem
65550,CC1=CCCC12C=CCC([NH3+])CC=C2,0,GDB MedChem
125201,Cc1cc2c(C(C)(C)O)cnc(C)c2cc1C,1,GDB MedChem
78993,C=C1C[NH2+]C23CCCC1C2C(O)C3,0,GDB MedChem
164914,C#CCc1cc(C)cc2c1CC(C)CCCN2,1,GDB MedChem
37986,CCC#CC1=C(CCCCO)CCC1,0,GDB MedChem
364977,CC1(C#CC(C#N)OC2CC[NH2+]C2)CC1,0,GDB MedChem
14896,CCN(C)c1cc(C(N)=[NH+]C)cc(=N)o1,0,GDB MedChem
284987,CC1=CCCOCCC(C)OC1,1,GDB MedChem
241900,CC1(C)CC2OCC(CCC(N)=O)CC1C2O,0,GDB MedChem
53358,[NH3+]CC1CC2CC3(CC3)C1O2,0,GDB MedChem
174754,N#CC1=CC[NH2+]C2CC2C=C1,0,GDB MedChem
370540,COC12CC(C)CC1C=CC2C,1,GDB MedChem
76173,C#CC1NC2CC1OC2C[NH3+],0,GDB MedChem
27721,CC[NH2+]C1CCC23NCC(=O)CCC2C13,0,GDB MedChem
40078,C#CCCc1c(CC(=O)C(=O)NC)csc1C,1,GDB MedChem
347149,N#CC1CC2CC(CO)C1O2,1,GDB MedChem
291060,CCCCOC(=O)C(C)(COC)[NH+](C)CCC,0,GDB MedChem
16872,CCc1ccc(=O)[nH]c1CC,1,GDB MedChem
327668,CC1=C(C(C)O)COCOC1,0,GDB MedChem
224415,CC(O)C(O)C(O)c1cc2c(o1)CCO2,1,GDB MedChem
213563,CCNC(C[NH3+])C[NH2+]C(C)C,0,GDB MedChem
79871,CC(=O)N(C)Cc1nnc(CO)nc1C,1,GDB MedChem
29266,CCCC[NH2+]CC1=CSC=C(NC)S1(=O)=O,0,GDB MedChem
197373,CC#Cc1cc2sccc(=O)c2o1,1,GDB MedChem
105392,C[NH2+]CC(C)c1c[nH]c(C[NH3+])c1-c1ccc[nH]1,0,GDB MedChem
40977,[NH3+]CC1(O)CC=CCNC1=O,0,GDB MedChem
345086,Cc1nc(=Nc2ccncc2N)ccs1,0,GDB MedChem
171929,C[NH2+]C(C#CC(C)(O)C#N)C(C)(C)C1CC1,0,GDB MedChem
200680,CC[NH+]=c1ccc(O)c(O)[nH]1,0,GDB MedChem
202231,CCCN(C(=O)C1(N)CC([NH2+]C)C1)C(C)C,0,GDB MedChem
142700,CCC1COC2CC12CC(C)=O,0,GDB MedChem
187069,Cc1ncc(C(C)[NH+]2CCC2)o1,0,GDB MedChem
60099,c1csc(OC2CC2)c1,1,GDB MedChem
13349,N#CC1=CC2CCC2(O)C1,1,GDB MedChem
136346,CCCCC(C)c1cnon1,1,GDB MedChem
262869,Cc1cc(C(C)C)c(C(C)C[NH2+]C(C)C)[nH]1,0,GDB MedChem
77453,C#CCC1[NH2+]C(C)(C)C=C1C,0,GDB MedChem
375663,CCC1=C(C)C(C)(C)OCCC1OC,0,GDB MedChem
297989,CC#CCC(O)c1nsnc1CCO,0,GDB MedChem
353804,CC1CCN1c1cscc1Cn1cnnc1,1,GDB MedChem
18504,CC([NH3+])C(N)(C(C)O)C1CC[NH2+]1,0,GDB MedChem
211719,CC(=O)C1(OCCn2cccn2)CCOCC1,1,GDB MedChem
388096,C#CC[NH2+]CC(C)CC(=O)CC(C)C,0,GDB MedChem
316843,COC1C2CCC1(C)CCC2O,1,GDB MedChem
249245,CC1=C2CC3CC3[NH2+]C(C)(C)C2=CC=CC1,0,GDB MedChem
5621,CC1C[NH+]2CC(O)C([NH3+])CC12,0,GDB MedChem
369942,CC(C)OCC([NH3+])(CO)C(C)CO,0,GDB MedChem
193368,O=CN1CC(=O)C1CCCO,1,GDB MedChem
362502,Cn1ccc(OC(=O)C(=O)[O-])c1CC#N,0,GDB MedChem
32286,C[NH+]1CC(CO)C1(CO)CCCCC[NH3+],0,GDB MedChem
187523,O=C1CC2C=C1CC=CC#CC2,0,GDB MedChem
209987,CC1=CC(C(C)(C)c2cncnn2)[NH2+]C1,0,GDB MedChem
59325,C#CCCc1cc(OC2CC2C)[nH]n1,1,GDB MedChem
31698,NC(=[NH2+])NCC1CCC2C([NH3+])C12,0,GDB MedChem
22077,CC1=CCC2CCC=C2CC=C2C[NH2+]C2C1,0,GDB MedChem
122745,CC1(C(N)=O)OCCC=CC1=O,0,GDB MedChem
64555,C#CC12CCC1[NH2+]C2CC,0,GDB MedChem
63894,CCCC(C#N)CC(=O)CCCOC,1,GDB MedChem
123874,O=c1ccc(CO)c2n1CCCC2,1,GDB MedChem
358330,CCC1CC(=O)C(C#N)C(C)(C)C1CC(C)=O,0,GDB MedChem
130761,N#CC1(O)CN(C2CC([NH3+])C2)C1,1,GDB MedChem
210471,CC1=C2C(COC(=O)C2O)NC1=O,0,GDB MedChem
198405,CCCc1ccc(C(C)(C)C(C)C)cc1CC,1,GDB MedChem
372923,COC1(C)CC([NH+]=c2[n-][nH+]c[nH]2)C1,0,GDB MedChem
292094,C#Cc1c(O)cc(CO)c2c(C)cc(C)cc12,1,GDB MedChem
239589,C[NH+]1C=C(C(=O)[O-])C[NH2+]CCCC1,0,GDB MedChem
121161,C=CC(C)CCC#CC(=O)C(C)=O,1,GDB MedChem
310509,CCCC1C(C)OC(c2cccs2)CC1(C)C,0,GDB MedChem
41926,C#CC(CO)OC(C)(C)C(C)C,1,GDB MedChem
161534,C=C1C(=O)CNC2(C[NH2+]C2)C1CO,0,GDB MedChem
96430,CC1=C2CN(C(C)C)C2(C[NH3+])CC(C)[NH2+]C1,0,GDB MedChem
42872,CC1=CCC2(C=CC=CC[NH2+]C1)CC2,0,GDB MedChem
265782,CC(C)c1ccc(COCC2CC2)nc1O,1,GDB MedChem
281482,C#CCC(C)C[NH+](C)CC1(OC)CCOC1,0,GDB MedChem
272704,CC1C=CC(C#N)=CC2CC2C1,1,GDB MedChem
327015,CCC1=CC=Cc2c(n[nH]c2[O-])C(CC)=C1,0,GDB MedChem
356070,CC(Cc1ccc(Cl)c(Cl)c1)[NH2+]C1CC1,0,GDB MedChem
109012,CC(C)OCCC1CC2CCCC(C)(C)C2C1,0,GDB MedChem
49186,CC(C)C(C[NH3+])C1CC=CC1,0,GDB MedChem
53647,CCOCc1nc([O-])c(OC2CC2)s1,0,GDB MedChem
321353,C=C(CO)COC1OCC=C1C[NH3+],0,GDB MedChem
123568,CC1CCC1CCc1cnsn1,1,GDB MedChem
78102,COC(C)c1c(C)[nH]c2c1CCOC(=O)CC2,0,GDB MedChem
327179,CNC(=O)N1C(=O)C2CCC21,1,GDB MedChem
113913,CN1CCC(Oc2n[nH]c(CCO)n2)C(=O)C1,1,GDB MedChem
3111,C1=CCC2(C1)CCCC1CC12,1,GDB MedChem
392327,Oc1cc2c(cn1)C1(CCC1)OC2,1,GDB MedChem
368946,COC1COC2CC([NH3+])C[NH2+]CC1C(C)(C)C2,0,GDB MedChem
266922,CC(O)C(C[NH3+])N(C)C=O,1,GDB MedChem
26522,CC1CC2C1CN2C(N)=[NH2+],0,GDB MedChem
129504,N#CCC1CC1C1=CCC2CCC12[NH3+],0,GDB MedChem
24360,CC(C)CC(C(C)C)C1C2CC[NH+]1CC(C)C2,0,GDB MedChem
248051,COC1(C)C(=O)NC(=O)C1CCO,1,GDB MedChem
92496,C#CC1CC(C)C12C=CC=CC(C#N)NC2,0,GDB MedChem
183509,C#CCC[NH2+]CC1=CC2(CC1)CC2,0,GDB MedChem
89632,[NH3+]CC1C2=C(C(CCO)[NH2+]C2)C2OCOC12,0,GDB MedChem
72916,CCC([NH3+])C(C[NH2+]C1CC1)C(N)=O,0,GDB MedChem
138653,CC1=CCC(=O)C(=O)C2(C)C(=C1)CC2C,0,GDB MedChem
189568,C=C1CCC([NH3+])CC2C(O)C12C[NH3+],0,GDB MedChem
34036,CC1([NH3+])C=C2CC=CC2C([NH2+]C(C)(C)C)C1,0,GDB MedChem
335688,CC[NH2+]CCC(N)C1C[NH2+]C1,0,GDB MedChem
245699,CCCC1=C(C)C(CC)OC1C1CCCO1,0,GDB MedChem
301015,C#CC([NH2+]CC)C1(C(C)C)CC1CC,0,GDB MedChem
265723,COC1C[NH2+]CC2C[NH2+]C21C,0,GDB MedChem
253155,CCC1=CCC([NH3+])C1,0,GDB MedChem
295076,C#CC1OCC1CCC(C)C,1,GDB MedChem
198460,C#CC=C(CC#N)CNC(=O)CO,0,GDB MedChem
358734,C[NH2+]CC(C#CC[NH3+])NC1C(C)C1O,0,GDB MedChem
12584,NC(=O)OCc1onc2c1CCC=CC2,1,GDB MedChem
233752,O=C([O-])C1COC12CC2CO,0,GDB MedChem
259823,Cc1c(N2CCCCCC2)ccc2[nH]ccc12,1,GDB MedChem
192137,N#Cc1c[nH]nc1C1CCOC1,1,GDB MedChem
345108,[O-]c1ccn(C2CCCC2=NO)n1,0,GDB MedChem
285032,CCC12C(C)OC1C(=O)OC2CNC=O,0,GDB MedChem
57069,C#CC(C)(C)c1ccc2n1CCC(CC)C2=O,0,GDB MedChem
359869,CCCC(C)(C[NH3+])CC[NH2+]C,0,GDB MedChem
211728,C1#CCCC2CC2CC2CCC2CC1,0,GDB MedChem
148462,CCCC12[NH2+]C(C(C)C)CCOC1C2OC,0,GDB MedChem
2041,CC(C)C(O)C#CCC1(O)CC1,1,GDB MedChem
353776,C#CCCC1(C)C(O)C1[NH2+]CCCC,0,GDB MedChem
125143,CCC1(O)CCCc2c[nH]cc2COC1,1,GDB MedChem
290066,COCC1C2CC2OCCC2CC=CC[NH+]21,0,GDB MedChem
352405,CC#CC1=C(NC=O)C(C)([NH3+])CC1O,0,GDB MedChem
287544,C[NH2+]C1CC(C(C)O)=C(CO)C1CO,0,GDB MedChem
317907,C#CC(=O)C(NC)C1C[NH2+]C1,0,GDB MedChem
101784,CC[NH2+]C1CC(O)C2CC2C1,0,GDB MedChem
150866,CCCCC1Cc2ccoc2C1(CC)C(C)C,0,GDB MedChem
57062,CCc1sc2c(O)cc(C)c-2c(C)c1C(C)=O,0,GDB MedChem
71079,[NH3+]CC(CO)CC1CC=CCC1,1,GDB MedChem
14814,CC1=CC=C(CC2CCC(C)(C)[NH2+]2)C=CC1,0,GDB MedChem
66210,C#CCC=C(C)C=C(C=C)C(C)=NO,1,GDB MedChem
263066,Cc1oc([NH+]=C(N)N)cc1C1CCC(C)CC1,0,GDB MedChem
237632,CC1C[NH2+]C2(CN)C(=O)NC(C[NH3+])C12,0,GDB MedChem
100588,CCCc1c(CC)ccc(N(C)C)c1C(C)C,1,GDB MedChem
5136,CCC1(O)CC1C(C#CCOC)CO,0,GDB MedChem
90762,CCc1c(NC)cc(CC(C)C)c2c1NCC2,1,GDB MedChem
52342,C[NH2+]C1(C(C)N(C)C)CCC1,0,GDB MedChem
343131,CCCCOCC1CC(C)CCC2CC12,0,GDB MedChem
87240,C#CC(C)(O)C(N)(C[NH3+])C[NH3+],0,GDB MedChem
113144,C=CC1=CCC(=O)C1C=C1C[NH2+]C1,0,GDB MedChem
373089,CC1C2CC=CC3(CC=C(C#N)C3)C12,0,GDB MedChem
200674,CC(=O)CC1C2C(=O)C(O)CC12C,0,GDB MedChem
346484,CC(O)(C=NO)CC1CCCCC(=O)OC1,0,GDB MedChem
335313,C#CC12C=C(CO)C3CC3C1CC2,0,GDB MedChem
105847,N#CCCC1C2CCC2=CC12CC2,0,GDB MedChem
200228,C#CCc1cc2ccoc(N)c-2c(=O)c1,0,GDB MedChem
191243,CC(C)(C(=O)[O-])C(C#N)C([NH3+])CCC[NH3+],0,GDB MedChem
227235,C=CC12CC=C3CCCC=C(C1)C32,0,GDB MedChem
16594,CC1C=C(C[NH3+])C=CC=C1C[NH2+]CC1CC1,0,GDB MedChem
43357,CC1CCCCc2cccn2C(CC[NH3+])CO1,0,GDB MedChem
369001,C=C1C=CCC2CC3CC([NH3+])CC123,0,GDB MedChem
320173,C#CCC1CCC(C)(COC)C(CCCC)C1,0,GDB MedChem
124474,CC1CC2CC(C)C(CC[NH3+])C2=C1C[NH3+],0,GDB MedChem
358396,C#CC1NC2(C(C)(C)[NH3+])CC([NH3+])CCC12,0,GDB MedChem
259865,CCC1=CC2OCC2CCOC(C)C1,0,GDB MedChem
312477,CC(C)C#CC1C([NH3+])C1C[NH3+],0,GDB MedChem
59051,CC1C=CC2C1=CC1CCC1=CC2[NH3+],0,GDB MedChem
245672,C#CC1C(C)[NH+]2CCC12,0,GDB MedChem
198019,CC(C)CC1(CC(C)(C)O)CC(C)CC(O)C1,0,GDB MedChem
245033,C=CC(O)C1=CC(=C)C2CC2C=C1,0,GDB MedChem
286081,CC#CC(CC1CCC(=O)C[NH2+]1)NC(N)=O,0,GDB MedChem
41001,CCc1c(C(C)C(=O)CC#N)coc1O,0,GDB MedChem
78075,C[NH2+]CC(C#N)N1C(=O)NC2CC21,0,GDB MedChem
340388,CNC1C([NH3+])COC1(C)C[NH+](C)C,0,GDB MedChem
30729,C#CC1C(=NO)C=C(C2CC2)C1CNC=O,0,GDB MedChem
81271,CC[NH2+]C12CCC(C1)OC2,0,GDB MedChem
14017,CC1=C(C#CC(C)C)C(=O)OC2(C1)CC2O,0,GDB MedChem
120994,CC(O)C1OCC(=O)C1(C)O,0,GDB MedChem
256919,N#CCC(O)C1=CC2CCC(=O)N2C1,1,GDB MedChem
226351,CC=C(C)C(C)([NH2+]CC)C(C)OC,0,GDB MedChem
146239,CC1[NH2+]C2COC3(CC3)C2=CC1NCC[NH3+],0,GDB MedChem
387002,CCC1(C2C=CC[NH+]2C)CCC1,0,GDB MedChem
295798,Cc1nc(=O)c(C#CCO)c[nH]1,1,GDB MedChem
371611,CC1=CC(C#N)=C(C)C[NH+]2CC3CC3C12,0,GDB MedChem
35127,CC#CC(OC)c1ncc(C(C)(C)C)n1C,1,GDB MedChem
224887,C#CC1CC(CC(=O)[O-])C1(C)C(=O)[O-],0,GDB MedChem
182853,C[NH2+]C1C(CC#N)N(C(C)C)C2CC12N,0,GDB MedChem
13643,CCC1CN=C(c2occc2C)NCC1(C)C,0,GDB MedChem
71856,CC(C)COC1C=CC([NH3+])COCC1,0,GDB MedChem
232296,C#CC(C)CC(O)C1(C[NH3+])COC1=O,0,GDB MedChem
368314,CCC1C2=C(CCC2)CCOc2c[nH]cc21,0,GDB MedChem
201620,CC([NH3+])C#CC(=CN(C)C=O)CO,0,GDB MedChem
163973,C=CCCc1cc(N)c(OC)c[nH+]1,0,GDB MedChem
88979,C#CCc1sccc1C(C=C)C=C,0,GDB MedChem
90813,CC1[NH2+]C2CC=C(CC(C=NO)CO)C12C,0,GDB MedChem
165543,C[NH2+]C1CCCNC(=O)NCC1CCC(=O)[O-],0,GDB MedChem
62674,FC(F)(F)C1CNC2C[NH2+]CC3CC32O1,0,GDB MedChem
297742,C#CC1OC(C)(C(C)CC)C1=O,0,GDB MedChem
40670,[NH3+]C1CNC1C(=O)OCC#CCO,0,GDB MedChem
236095,CCCC1OC2(C)CC(=O)C3CCCC1=C32,0,GDB MedChem
50205,CCC(CCO)NC(C#N)CO,1,GDB MedChem
2841,CC#CC(=O)CC1=CCC(C#N)(CCO)C1,0,GDB MedChem
96429,CC1CCC2(OC3CC3)C(O)C12,0,GDB MedChem
389200,CC1CC2=CC1=CC(=O)CCC=CCC2C,0,GDB MedChem
95138,C#CC(C)C1[NH2+]C(C)(C)CC[NH2+]C(CC)C1C,0,GDB MedChem
148480,CCc1cc2c(C)cc(COC(C)C)nc2[nH]1,1,GDB MedChem
134274,C#CCCOC1C(C)C1CC,1,GDB MedChem
106829,C#CC1=CCC2CC1(C)C=CN2C=O,0,GDB MedChem
52402,[NH3+]C1C(O)C[NH+]2CC=CCOCC1CC2,0,GDB MedChem
314432,CCC1CC(=O)C(CC(C)C)=C1C1CC1,0,GDB MedChem
137577,CN1CC(CN)[NH+]=C1NC1CC1,0,GDB MedChem
280962,CC([NH3+])C1(O)C(O)C1C#N,0,GDB MedChem
51637,CCC(C)(CO)CC1CC(C)(C)CC=C1C,0,GDB MedChem
44264,CC(C)C(C)([NH3+])C1C2CCC1[NH+](C)C2,0,GDB MedChem
254003,N#CC1C=CC2CC1C(=O)S(=O)(=O)COC2=O,0,GDB MedChem
380505,C=C1COCC(O)CNC(=O)N1C,1,GDB MedChem
211750,CC(C)CC1(C)COC(=O)C1,1,GDB MedChem
310535,Cc1[nH+]c2c(cc1O)NCC(C)N2,0,GDB MedChem
238264,CC#CC1(C)C(C)N(C)C1C(N)C[NH3+],0,GDB MedChem
387750,C#CC(=O)CC1(O)C2C=CC(CC)C21,0,GDB MedChem
292053,CC[NH+]1CC2(CC(O)C2)C1C,0,GDB MedChem
91441,CC1(CCO)CCCc2ccoc(=O)c21,0,GDB MedChem
105160,C#CC(=NO)c1ccc(C)o1,1,GDB MedChem
113138,CCCCC1CCC([NH3+])C1C(C)OC,0,GDB MedChem
340072,CC(C)(O)C1C=CC(=NO)CC(CO)OC1,0,GDB MedChem
154204,C#CC(C)c1n[nH]nc1-c1ccc(C)nc1C,1,GDB MedChem
165575,CC1=C(C[NH3+])C(CC(C)C)CC1,0,GDB MedChem
10542,CCOC1C(=O)C2(CO)C[NH2+]C2CC1O,0,GDB MedChem
100551,CC#CC(C1CC1)C1CC[NH+](CC)CC1,0,GDB MedChem
9458,CC1[NH2+]CC=C(CO)C1=NO,0,GDB MedChem
249009,C[NH+]=c1ncc(COC)c(C#N)n1C,0,GDB MedChem
282060,CC(CO)OC(C)(C)c1cc([NH+]=C(N)N)co1,0,GDB MedChem
144461,C[NH+]1CCC2=C(CC(=O)C(O)C2)C1,0,GDB MedChem
113861,CC(C)C1CCCC(O)C(=O)C(C)(CC#N)C1,0,GDB MedChem
128187,CCCC(C)(OC)C([NH3+])C(C)(CC)C(C)[NH3+],0,GDB MedChem
86240,CC(C)CC(CCO)COC1C(N)C1[NH3+],0,GDB MedChem
83168,C#CC(=O)C(CC)C1=CCC(=O)C1,0,GDB MedChem
57077,C1=C2CCCCC2OCC(C2CC2)C1,1,GDB MedChem
245700,CCC(CC)C1(C[NH+](C)C2CC2)CC1,0,GDB MedChem
149603,CCCC(C)(OCS(C)(=O)=O)C(O)C(O)C#N,0,GDB MedChem
370530,CN1CC(=C2C(C[NH3+])=CCCC2([NH3+])CO)C1,0,GDB MedChem
82687,C#CC1(C)C[NH+]=C(NCC#N)N1,0,GDB MedChem
320049,CCCCC1=CC(C#N)OC1,1,GDB MedChem
35403,C#CCC1(CO)OC2COC21,0,GDB MedChem
168664,CNc1c(CO)sccc1=O,1,GDB MedChem
240275,C=CCC1CC1C1C=CCC(C)O1,0,GDB MedChem
358364,CC1CC2=C(C#CC=C3COC3C=C2)C[NH2+]1,0,GDB MedChem
116326,CCC(CC#CC[NH3+])Cc1cnno1,0,GDB MedChem
218621,CC1OC(C(N)=O)C(C)(C)O1,1,GDB MedChem
270723,C#Cc1cc(NC(C)C)c(CCCC)cc1C,1,GDB MedChem
67229,C=C(CC1(OC)CC1)C1C(N)C1[NH3+],0,GDB MedChem
220534,OCCC1COCC(=C2C[NH2+]C2)C1CCO,0,GDB MedChem
66476,Cc1ccc(OCC[NH3+])cn1,0,GDB MedChem
9145,Cc1c(O)c(O)c(CC(CO)CO)c(F)c1O,1,GDB MedChem
118323,COC1=CN=CC=C([O-])c2nccnc21,0,GDB MedChem
152452,[NH3+]C1C(O)C1(C1=CC[NH2+]C1)C1CCC1,0,GDB MedChem
30772,COCC(=O)CC1=CC(N2CCC2)CS1(=O)=O,0,GDB MedChem
56124,CC1CC(C)(C2CC(O)C([NH3+])C(C)N2C)C1,0,GDB MedChem
220536,Cc1oc(C(C)C)c2c1CC(C)(C)CC=C2,0,GDB MedChem
170930,CCC#Cc1cc(C(=O)C(=O)[O-])cs1,1,GDB MedChem
4499,C[NH+]=C(N)N(C(=O)CO)C1(C)CC1,0,GDB MedChem
66412,C#CC1C(C(CC)[NH2+]C(C)C)CCCC1(C)C,0,GDB MedChem
312941,C[NH2+]CC=Cn1cc(C)c(C[NH3+])c1,0,GDB MedChem
125157,CCCCOCC#CC(C)C,1,GDB MedChem
191985,CCC#Cc1cnn(C2CC2)c1C[NH3+],0,GDB MedChem
343163,CCC1CC2CC(O1)C(C)C2=O,1,GDB MedChem
143609,C[NH2+]C(C)(C)COC(C)(C)Cc1cc(C)c[nH]1,0,GDB MedChem
63300,CC#CC1(C[NH3+])CC=C(CC)CC(C)C1,0,GDB MedChem
113393,COC1C(C2CC2)CC=C2CC(C)C21,1,GDB MedChem
102563,C#Cc1cc(C)nc2c1CC=C2CC,1,GDB MedChem
2866,CC1=C(C)C(C#CC[NH3+])=CCCCC1,0,GDB MedChem
277297,[NH3+]C1CC=C2COCC3=CCN(C=O)C231,0,GDB MedChem
13209,CCC(CC#N)C1[NH2+]CC(O)C1(C)OC,0,GDB MedChem
89583,CC(=O)NC1=CCC(=C2C(O)CC2(C)O)C1,0,GDB MedChem
357799,CC1=C(C(C)C)C2(O)CNC(=O)C(C2)C1C,0,GDB MedChem
258943,COC(C=NO)C1CC=C(C#N)C2COC21,0,GDB MedChem
348254,COC(=O)NC1=CCC(=O)C12CCCO2,0,GDB MedChem
332099,C#CC1=CCC2=C(CC1)C(C)(O)CC2,0,GDB MedChem
169710,CC1C=CC[NH+](CC2(O)CC(O)C2)CC=C1,0,GDB MedChem
77432,CCC1=CC2=CC(CO)CCCC2S1(=O)=O,0,GDB MedChem
292813,C#CC1NCC(=O)OCCC1CCOC,0,GDB MedChem
201839,CCC1=C2CCC=C(C)CC(C1C)C2[NH3+],0,GDB MedChem
187356,C=CC(OCC)C(C)c1cnco1,1,GDB MedChem
204763,C#CC1OCC=CCCC(=O)O1,1,GDB MedChem
312431,N#CC=CC1OCOc2ccoc21,0,GDB MedChem
127539,CCC(=O)Nc1occ(OC)c(=NO)c1OC,0,GDB MedChem
299921,NC1=[NH+]CC2C(CC[NH2+]C23CCC3)N1,0,GDB MedChem
216746,N#CC1C2=CCCN1CCCCOCC2,0,GDB MedChem
111795,CC1=CCC2=C(C)C[NH+](CC=C2)CC1,0,GDB MedChem
249262,CC1CC=CCCC(C(C)C)=CCC1,1,GDB MedChem
335422,CCC(C#N)CC([NH3+])C1CC1,0,GDB MedChem
52308,CCC1(CO)C=CC2C(C)=CC(=O)NC2C1,0,GDB MedChem
46983,CC12COc3cc[nH]c3C=CCOC1C2,0,GDB MedChem
206555,C[NH2+]C1(Cc2ncco2)CCN(C)C1,0,GDB MedChem
209199,C#CCCc1c(C)ccc(C(C)C#N)c1CC,1,GDB MedChem
40131,C#CC1CCC2(C)C(O)CC2O1,0,GDB MedChem
58177,CN=C(NCC1(C)CC1)c1ncco1,1,GDB MedChem
240523,N=c1sccc(C(=O)CCO)c1CO,0,GDB MedChem
271664,C[NH2+]C(C(O)CC(C)O)C(C)(O)CO,0,GDB MedChem
270737,C=CCOCc1cc(NC)nn1C,1,GDB MedChem
195096,COC(C)(CC1CC1)C(C)C,1,GDB MedChem
162272,CC(O)C12CC=CC[NH2+]CC1NC2,0,GDB MedChem
65522,CCCCC1(C)CC(C)C=C1C(C)[NH3+],0,GDB MedChem
217837,C#CC12CC1C(C1CC1)OC2C,0,GDB MedChem
104902,CC(CCO)C(=O)c1cn(C)nn1,1,GDB MedChem
245703,Cc1sc(=O)oc1CNC(C)C(C)[NH3+],0,GDB MedChem
247010,COC1CC2C1=CC1(OC)CCCCC21,0,GDB MedChem
2851,C#CC1(C)CC2CC(C)=CC(C2)CC1[NH3+],0,GDB MedChem
149081,CC1(O)CNC2C[NH+](CC2C[NH3+])C1,0,GDB MedChem
132578,C#Cc1cc(OCC(C)(C)C)cc(C[NH3+])c1C,1,GDB MedChem
302128,C#CC1(C(C)CC#N)C(C)C1CC(C)=NO,0,GDB MedChem
33410,CC1C(=O)NC12C#CCOCCCC2[NH3+],0,GDB MedChem
82266,Nc1c(-n2ccnc2)ccc2cc(O)ncc12,1,GDB MedChem
367016,N#CC(=O)C1C(=O)N(C2CC2)CC1O,1,GDB MedChem
354956,CCC1[NH2+]C2CCC1C2OC,0,GDB MedChem
218617,C#CC1(C[NH+](C)C(C)C)CCC(C(=O)[O-])CC1,0,GDB MedChem
187397,C#CC1C2CCC1(OC)COC(C[NH2+]CC)C2,0,GDB MedChem
117787,C#CCC1CC12C=CCC2=O,0,GDB MedChem
107783,OCCC1(C2OCCO2)CC1,1,GDB MedChem
320401,CCC[NH2+]CCCC(C)(CC[NH3+])CC(O)CC,0,GDB MedChem
290675,CCC(C)(C)C1=CC(=O)CC(C)=CN1C=O,0,GDB MedChem
299854,CC=CC(C#N)=CC(C)(O)CCC,0,GDB MedChem
133931,[NH3+]CC1(COC2COC2)CCC1,1,GDB MedChem
201886,C#CCC1CCOC2(C[NH3+])CC(O)C[NH2+]C1C2,0,GDB MedChem
245641,C1=CCC2CC(=C(C3CCC3)C2)COC1,0,GDB MedChem
76564,C#CC1=CC2CC=CNC(=O)C(CC)=C1C2,0,GDB MedChem
53561,CCC12CC=CCC3CCC(=CC1C[NH2+]2)C3,0,GDB MedChem
306791,CCC#CCCC1CCC1CC,1,GDB MedChem
334937,CC(C=NO)CC1C=C(CO)C(=O)C1C#N,0,GDB MedChem
34502,C#CC(C)(C[NH2+]C)C(C)CC,0,GDB MedChem
279025,O=C1CC2COCC23CC3C1,0,GDB MedChem
123726,CCC1C(C(C)=O)C2COCCC1(C(N)=O)C2,0,GDB MedChem
320390,C1=CCCC2[NH2+]CC=C2CC=C1,0,GDB MedChem
390331,C#CCC([NH3+])C1CC2CCCC1[NH+]2CC,0,GDB MedChem
90188,CC([NH3+])CC#Cc1cnn[nH]1,0,GDB MedChem
105851,C=CC1C(C#N)C1C(C)C#CCC,1,GDB MedChem
161556,CC#CC1=CCC2CC(C)CC1CO2,0,GDB MedChem
293996,CC1C[NH2+]CC12OCC2C,0,GDB MedChem
307206,CC=C1CN(CC=CCCO)C1C,1,GDB MedChem
209334,CCC1[NH+](C)CC(C)C12CC=C1CCC12,0,GDB MedChem
388079,[NH3+]C1c2ncncc2C(O)C1CO,0,GDB MedChem
307311,CC1=C(C)CC23[NH2+]CC(C)C2C3CC1,0,GDB MedChem
142696,N#CCCCCn1ccnn1,1,GDB MedChem
283597,C#CC1CN2C1CC2(C)C#N,0,GDB MedChem
80873,CCC(C=CC(C)[NH3+])C[NH+](C)CC,0,GDB MedChem
396015,Cc1coc(=O)n1CCC(C)C,1,GDB MedChem
396805,C#CC(C)(C)C(=O)N(C)C(CC)C1CC[NH2+]1,0,GDB MedChem
327171,CNCC[NH2+]CCCC[NH2+]C,0,GDB MedChem
59725,C#CC(C)C1COCC1(C)C1CC1,0,GDB MedChem
169282,N#CCCNC1(CO)CC1NC=O,0,GDB MedChem
30472,C[NH2+]CCCC[NH2+]C(C)CN(C)C=O,0,GDB MedChem
256764,CCCCc1c(C)csc1CC,1,GDB MedChem
182827,CCc1nc2n(n1)CCC(=NO)CC#CC2,0,GDB MedChem
205414,CCOC1C(C)=C(CO)C2CC21,0,GDB MedChem
58918,CCC1OCC2=CCCC21,1,GDB MedChem
102877,O=C(CO)C(O)C1CCCO1,1,GDB MedChem
75266,N#CCC1(NC=O)COC1,1,GDB MedChem
184430,CCC1C=CN(C=O)C(COC)C1,1,GDB MedChem
361276,C1CC1COC1C2C[NH2+]C21,0,GDB MedChem
117016,O=C1NC2CCCC12C1CCCC1,0,GDB MedChem
86779,Cc1cc(C2CCC2)c(NC=O)nc1C[NH3+],0,GDB MedChem
9149,COCC(C[NH3+])=C1C[NH2+]C2CC2C1,0,GDB MedChem
365224,CC(C)C1C[NH+](C)C(C)C(C)C1(C)C,0,GDB MedChem
71867,O=C1C=C2CC(=O)NC(C2)C(=O)NCC1,0,GDB MedChem
223404,CC(O)C(C)C(C)O,1,GDB MedChem
172192,CC1C(O)CCC1([NH3+])CN,0,GDB MedChem
302120,CC1=CC2(CC(C)C2)[NH+](CCN)CC1C,0,GDB MedChem
262872,C=CC(=O)C(CO)N(CC)C(N)=O,1,GDB MedChem
102770,CCC1[NH2+]CC=C1CC1([NH2+]C)COC1,0,GDB MedChem
220781,C#CC1=CC=C2CC([NH3+])C=CC2=C(CO)C1,0,GDB MedChem
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125463,N#CC1C([NH3+])C1CCOc1cn[nH]c1,0,GDB MedChem
57354,CC#CC1(CCC(C)CC(C)CC)CC[NH2+]1,0,GDB MedChem
331340,CC1=C(CC([NH3+])C2C[NH2+]C2)CCC[NH2+]C1,0,GDB MedChem
63272,CCc1oc(C#N)c([O-])c1C(O)C(C)=O,0,GDB MedChem
165492,C[NH2+]C(CN)C(O)C=CC([NH3+])CO,0,GDB MedChem
13527,C#CC1=CC(=C2CC[NH2+]C2CC)CC1[NH3+],0,GDB MedChem
280936,CCC([NH3+])C12CCCC1C1CCC1=C2C,0,GDB MedChem
351028,CCC1(C2OCC2C)[NH2+]CC=CC=C1C,0,GDB MedChem
293279,CC(=O)CCCC1(C)CCC(O)C1=O,0,GDB MedChem
237591,CCC=C(C)Cc1cnc(C#N)[nH]1,0,GDB MedChem
279475,C=CC=C1C([NH3+])C(C)(CC[NH3+])C1O,0,GDB MedChem
31200,C[NH2+]C(C)CC1C=C2CCCN2C1=O,0,GDB MedChem
237507,CC1(C#N)C2C=CC3=CCCCCC3C21,0,GDB MedChem
247037,C[NH2+]CC1(C)NCCC2CC(C(C)=O)C21,0,GDB MedChem
373148,Cc1ccc2cc(CO)cc(-c3ccoc3)n12,1,GDB MedChem
41917,CCCC=C1CC2[NH2+]CC2=C1C[NH3+],0,GDB MedChem
134126,CC1CC1(CO)CO,1,GDB MedChem
9294,C=C(C)C1C([NH3+])C=CC1C(N)C#N,0,GDB MedChem
116722,CC1=C2CCN3C(=O)CC=C(COC1)C23,0,GDB MedChem
125771,Cc1c2c(nc3cccc(O)c13)CCC2,1,GDB MedChem
124015,CCC1CC(C)C2(C)CC2C1,1,GDB MedChem
369920,CC1=C2C(C=CC[NH+](C)C2C)C2CC12,0,GDB MedChem
364691,CN(CC#N)C(=O)C1CC(=O)C1,1,GDB MedChem
220903,C#Cc1cc(C)c2c(c1)CNCC2=O,1,GDB MedChem
220588,COC1OC(C)C=C2C[NH2+]CC2NC1=O,0,GDB MedChem
97360,CN1CC(=O)CC2(C1)C(O)C2O,0,GDB MedChem
145392,C#CCOC(C)(C)C1CCC2OCC(O)C21O,0,GDB MedChem
192085,CC(C#N)C1(C#CC(C)(C)O)CCN1,0,GDB MedChem
196656,C#CC1[NH2+]CC(c2cc(N)cs2)=C1CCO,0,GDB MedChem
396296,OCC1=CC[NH2+]Cc2c[nH]c(c2)NC1,0,GDB MedChem
372914,Cc1ccc(C(CC2CC2)C(C)C[NH3+])o1,0,GDB MedChem
96138,C=CC1CCC2CCC1C2[NH2+]CC,0,GDB MedChem
52492,N#Cc1ccnc2c1NC1(CC=CC2)CC1,1,GDB MedChem
187348,N#CCC1NCC2CC=CC2=CC1[NH3+],0,GDB MedChem
305380,C=CC1=C(C)C=CCCC(=C)C1=NO,0,GDB MedChem
222995,C#CCC(CCC(C)C)[NH+](CCC)C(C)CC,0,GDB MedChem
48886,C[NH+]=C1NCCC2(C=CCC(C)N1)CC2,0,GDB MedChem
66409,CN(C=O)Cc1c[nH]cn1,1,GDB MedChem
116268,Cc1c(N)c(CC2CCCC(CO)C2)cn1C,0,GDB MedChem
127343,N#CC1COCC12C=C(C=NO)CC2CO,0,GDB MedChem
114200,NC(=O)CC1[NH2+]C2C=CC1C2CO,0,GDB MedChem
113846,CCC(O)(C[NH3+])CC1(C)CC1,0,GDB MedChem
223000,CCC(=O)N1CC=C(C)C1COC1CC1,1,GDB MedChem
211979,CCC1([NH3+])CC(C)=C2CC(C)C21,0,GDB MedChem
238447,C[NH+](C)C1CC1OC1CC1,0,GDB MedChem
319555,CO[c-]1ccc(=O)c(=O)o1,0,GDB MedChem
275965,CCC1=C(C)Cc2c(sc(OC)c2C)C1,0,GDB MedChem
106860,COC(C)CC1(C)CC1NS(C)(=O)=O,1,GDB MedChem
197654,CCC(C)C(C(C)OC)C1OCC=C1C,1,GDB MedChem
368873,C#CCC1C(O)C(C#N)C1CO,0,GDB MedChem
157233,CC1CC12CCC1COCC1CO2,0,GDB MedChem
275059,C#CCCC1C(=O)CC2CCC(CO)C21,0,GDB MedChem
125178,C[NH2+]CC(O)CCc1n[nH]c(N)c1C(C)C,0,GDB MedChem
368908,C#CC1CC12CCC=CCC(=O)C2CC,0,GDB MedChem
297760,CC1CC([NH3+])CC(C)C1(C)C,0,GDB MedChem
248949,CC1OC(=O)C1C(CO)COC1CC1,0,GDB MedChem
271282,C[NH2+]C1C[NH+](C(C)CC(=O)[O-])C(C)(C)CC1C,0,GDB MedChem
369207,CC1=CC=CCC2=C1CCCCC2(C)C,1,GDB MedChem
76029,C#CCc1c(O)cc(C)c(CC[NH3+])c1COC,0,GDB MedChem
153905,C[NH+]1C2COC(=O)NCCC(C2)C1CO,0,GDB MedChem
239818,CCCc1nc(CCC(=O)C(=O)[O-])[nH]c1CO,0,GDB MedChem
320377,CNC1C(C[NH3+])C1[NH2+]C,0,GDB MedChem
36094,C#CC([NH3+])CCC(C)([NH3+])CC,0,GDB MedChem
170951,C#CC(C)(C)CC1=C(N)C2C(C)CC2C1=NO,0,GDB MedChem
186324,C=CC(=C1CC=CCC1=C)S(C)(=O)=O,0,GDB MedChem
114152,COC1C=CC2C(=CC1O)COC2C,0,GDB MedChem
306918,CC1=CC=CC=C2C[NH2+]CC(C2)C(C)=C1,0,GDB MedChem
54928,N#CC1OC2CCCCC12O,0,GDB MedChem
387001,CCC(C)CCCC1CC(=O)C(C[NH2+]C)C1=O,0,GDB MedChem
52039,CCN(C)C(Cc1cn[nH]c1)c1cnon1,0,GDB MedChem
318825,CCC1OC(C#N)C(O)C1(C)C(=O)[O-],0,GDB MedChem
52379,CCC(C#N)(C=NO)C(C)C1CCC1(C)C,0,GDB MedChem
210070,C[NH2+]CC1=CCCNC(=[NH2+])N1,0,GDB MedChem
102831,N#CCC1OC2CC3C=CCC(C=C12)C3,0,GDB MedChem
245446,CC1=CCC(C)=C2CC(=O)C(C)C2CC1,0,GDB MedChem
35227,COC1C=C(C)C(=O)N2C(=O)OC(C)C12,0,GDB MedChem
61626,CC1=CC#CC=CC(c2cccs2)COC1,0,GDB MedChem
381534,C[NH+](C)CC(=O)CC1[NH2+]C(C)(C)CC1O,0,GDB MedChem
292587,CCC1CC2c3c(Cl)cccc3C(C)C2(O)C1,0,GDB MedChem
16885,C#CCOCC1=CCC2(C(C)C)CCC12,0,GDB MedChem
62629,O=CN1C2=CC=CC3(CC3)[NH2+]CCC1=CC2,0,GDB MedChem
267249,CCC([NH3+])C1(C)CC(OC)C1,0,GDB MedChem
106273,CC1C2=CC(CNC3CC31)[NH2+]C2,0,GDB MedChem
50708,CC(C)(C)[NH2+]C1(C)CCCC2CCCC2CC1,0,GDB MedChem
81216,C1=CCCC(=C2C[NH2+]C2)C=CC1,0,GDB MedChem
336925,Cc1ncoc1CC(OCCC(=O)[O-])C(C)O,1,GDB MedChem
128155,CC1C=CCC23CC2CC3C1,0,GDB MedChem
360949,CCN1C(=O)C([NH3+])C12COC2,0,GDB MedChem
169801,CNC(=O)C1(CC#N)C(N)CC2CC1[NH+](C)C2,0,GDB MedChem
76261,C#CC(CC[NH3+])OC(CCC[NH3+])COCCC,0,GDB MedChem
343857,C#CC1=C(C)C2(COC2)CC(=O)C(C)=C1,0,GDB MedChem
185743,CC#CCCNc1occc1CC[NH2+]C,0,GDB MedChem
56948,C#Cc1ccncc1C1=C(CO)C[NH2+]C1,0,GDB MedChem
125423,CCC1CC(C2CCC2(C)C)[NH2+]1,0,GDB MedChem
10480,Cc1ncc2c(n1)C1=CCC=CCC=C1C2,0,GDB MedChem
72158,COC1(CO)C=CCCC#CC2CC2C1C,0,GDB MedChem
38344,C#Cc1csnc2ccc(C(C)[NH3+])c1-2,0,GDB MedChem
30760,COc1cc(C)c(=[NH2+])sc1CC1CCCC1[NH3+],0,GDB MedChem
245163,CC(C)(NC(N)=[NH2+])C12CCC1C=CCO2,0,GDB MedChem
390326,CCC(=O)CC1C(O)C1OCC(N)=O,0,GDB MedChem
47972,CC1C=C(C(C)[NH3+])C(CO)C1,0,GDB MedChem
287606,CC([NH3+])CC1=CCC2(O)CC12,0,GDB MedChem
88912,C#CC1=C(C[NH3+])COC12COC2,0,GDB MedChem
18954,CCCC(CC)[NH+]1CCC1,0,GDB MedChem
279612,CCCC1=CC(CC)C2CC(=O)C(C)C12,0,GDB MedChem
185762,OC1C#CC2CC2C=CCC1,1,GDB MedChem
171938,C#CC([NH2+]C1(C)CCCCC1C)C(C)(C)CC,0,GDB MedChem
137521,C=C(CCO)N(CC#N)C(N)=[NH+]C,0,GDB MedChem
37967,CC1CCNC(C#N)CCC[NH2+]1,0,GDB MedChem
95086,C#Cc1cc(C)c2c(C)nsc2c1CO,1,GDB MedChem
205100,C#CC(C)N1C(=O)CC(=O)CC=C1C=NO,0,GDB MedChem
234105,N#CC1CC=CC1(O)CO,1,GDB MedChem
285304,C#CCC[NH2+]C12CCC(C)=C1CC2O,0,GDB MedChem
245939,CCC12C([NH2+]C)CCC1C2[NH3+],0,GDB MedChem
238957,CC(C)C(C)CC1CC2CN1C(CC#N)C2=O,0,GDB MedChem
315998,CCCC1(O)C[NH2+]C(C)CC1c1ccoc1C,0,GDB MedChem
165869,C#Cc1ccc(OC(N)=O)s1,1,GDB MedChem
130741,Cc1c[nH]nc1C(O)CC(O)C(C)[NH3+],0,GDB MedChem
277300,C#CCC(COC)c1ccn(C)c1NC,0,GDB MedChem
52845,CC1(C)CCC2CCCC=CCC=C1C2,0,GDB MedChem
365980,CC#CC1=CC=CC(OC)C2CCC12[NH3+],0,GDB MedChem
165877,C#CC(=O)C1CC(CC#N)(NC=O)C1,0,GDB MedChem
351473,CCC(C#N)(NC1CCC1OC)C(C)=O,1,GDB MedChem
93913,Cc1conc1OCC1CC1O,1,GDB MedChem
369182,CC(C)(C)C(C)(c1ccoc1)C1OCOC1=O,0,GDB MedChem
14759,CCC1OCC1C1CC=CC1=O,0,GDB MedChem
99310,C[NH2+]Cc1c([O-])oc2occ(COC)c12,0,GDB MedChem
87289,Cc1cscc1Cn1ccc2c1C=CCC2,1,GDB MedChem
359633,C#CC[NH+](C)C1(C(C)(CC)CCC)CCCC1,0,GDB MedChem
386934,CCC1CC2=CC(C)(C[NH2+]CC(C)=C2)C1,0,GDB MedChem
83232,CC1=C2CC([NH3+])C23C=C(CC#N)CC3C1,0,GDB MedChem
164923,CCCc1ccsc1NC(C[NH3+])C[NH3+],0,GDB MedChem
336845,CC(=O)CC[NH2+]Cc1cnco1,1,GDB MedChem
263667,CCCc1cc2c(c3onnc13)CC=CC2,1,GDB MedChem
394688,CCC(C)(C)CC1(CO)CCC(C)CC[NH2+]C1,0,GDB MedChem
122611,C#CCC=C(CC(C)C[NH3+])C(C)C,0,GDB MedChem
327035,CCC1COCCC(=O)C1(C)C,0,GDB MedChem
335667,C#CC1(CO)CN(C)C(=[NH+]C)N2CCC21,0,GDB MedChem
61565,CCOc1occ(CC[NH3+])c1C1(O)CC1,0,GDB MedChem
45536,OC1C[NH+](C2CCC3CC32)C1,0,GDB MedChem
94010,CCC([NH3+])C1C(CO)COC1C,0,GDB MedChem
10821,CCC(C)OC(=O)C#CC[NH2+]C,1,GDB MedChem
15805,CCN1CCN(C(C[NH3+])CO)C1=O,0,GDB MedChem
60107,CCCC1=CNC(=O)COC(C)(C)CC1,0,GDB MedChem
67182,C#CC1=C(CO)Cc2c(coc2C)C=CC1,0,GDB MedChem
96145,CC1CC(=NO)C(=NO)CCC#CC1O,0,GDB MedChem
354922,C#CCN1CCS(=O)(=O)C2CC21,0,GDB MedChem
195826,CC1=CCC2=CCc3c(N)c(C)c(F)c1c32,0,GDB MedChem
264233,O=C1C(O)CC2CNC1C2=O,0,GDB MedChem
119186,C[NH2+]CC1C#CC=CC[NH+]2CCCC2(C)C1,0,GDB MedChem
83675,CCC1CCS1(=O)=O,1,GDB MedChem
294404,CCC1CC(C)CCCO1,1,GDB MedChem
241354,CC1CCCC=C(C[NH3+])C2(CO)CC12,0,GDB MedChem
155895,CC#CC1(N)C(N)C[NH2+]C1CO,0,GDB MedChem
64144,C#CCC1C(C[NH3+])=CCC2(C#N)CCC12,0,GDB MedChem
213840,CC1C=CC(=C2NCCS2(=O)=O)C(=O)CC1,0,GDB MedChem
115660,CC1=C(CC(C)O)CC(=O)C2CC2(C)CC1,0,GDB MedChem
67172,CCC1C=C(C)C(C)N1C(N)=[NH+]C,0,GDB MedChem
267841,CCC1CCC(CCC(=O)CC#N)C(C)C1C,0,GDB MedChem
336873,CN1C=CC=C2COC2C1=O,0,GDB MedChem
293682,CNC1(C#N)CC1C(O)CC(C)C[NH3+],0,GDB MedChem
226676,Cc1cc(Cl)c(C(C)([NH3+])C(C)CC#N)cc1N,0,GDB MedChem
117045,CC1CC[NH2+]C(C)(C)C=C2C[NH2+]C2C1,0,GDB MedChem
29851,CC1=CC2C(O)CC2OCC1[NH3+],0,GDB MedChem
230959,CC1C2OC3CC12CCCCC3=NO,0,GDB MedChem
247892,O=CNC1C=CC=CC=CC=C1,0,GDB MedChem
194112,CC(C)(C#N)OCC(CO)CO,1,GDB MedChem
107092,O=C1CC(=O)C(CCO)C1,1,GDB MedChem
179578,CCCC(C)C1C(C)=CC2(CC(C)C2)C1=NO,0,GDB MedChem
297148,C=CC12CCCC(C(O)CC1)C2[NH3+],0,GDB MedChem
245392,C#CC12CCC(C=CC(C)C1[NH2+]CC)C2,0,GDB MedChem
115791,CCCC1C(O)C2CC(O)(CCC2=O)C[NH+]1C,0,GDB MedChem
155395,CC1CC(C[NH3+])C1=C1CCCC1,0,GDB MedChem
388947,CC#CCC1Cc2sc(C)cc(=O)c2N1,0,GDB MedChem
220600,CC(C)C#Cc1occc1[O-],0,GDB MedChem
224317,NC(C[NH3+])C1(N)C=CCC1[NH3+],0,GDB MedChem
275806,CCC#CC(=O)OC(C)(C)CC,1,GDB MedChem
195844,Cc1cnc(C)c(CCOCCCO)c1,1,GDB MedChem
21606,C#CC1(CC)C2CC[NH2+]CC(C2)C1[NH2+]C(C)C,0,GDB MedChem
250752,N#CC1=CNC(=O)CC1C(O)C[NH3+],0,GDB MedChem
180492,C#CC1=CCC(CO)C1CC,0,GDB MedChem
205677,C#CC12C(=O)OC1COCC2[NH3+],0,GDB MedChem
28514,C#CC(CCC)(CC[NH3+])C(C)C[NH2+]CCCC,0,GDB MedChem
130784,C#CCC1=CCN(C=O)C(C)=CCC=C1,0,GDB MedChem
73921,C#CC1NC2C1CC(C)C=CCC=CS2(=O)=O,0,GDB MedChem
240207,CC1CCC=CC2CC[NH+]2C1,0,GDB MedChem
265206,Cc1sncc1-c1cnccn1,1,GDB MedChem
160162,C#CC(C)C(C)CCC1([NH2+]CC)CCCC1O,0,GDB MedChem
229888,[O-]c1occ(CO)c1C#CCCO,0,GDB MedChem
69753,CCn1c2ccc1C(O)C(=O)CNC(=O)CC2,0,GDB MedChem
129982,C[NH2+]CC([NH3+])CCCC1([NH3+])C(C)CCC1CO,0,GDB MedChem
271652,CC(O)C(C)CC1COCCN1c1ccco1,1,GDB MedChem
380967,C[NH2+]CC1CC[NH+](C)CC=C(C)NC1=O,0,GDB MedChem
179736,[NH3+]CC1OC(=O)C12CC[NH2+]C2,0,GDB MedChem
255673,CC1COCC12C1CCC2OC1,0,GDB MedChem
393824,N#CC#CC[NH2+]CC(=O)[O-],1,GDB MedChem
361476,CC1CCC2=CS(=O)(=O)NCC[NH2+]CCC21,0,GDB MedChem
66209,Cc1[nH]c(C2CCC2)c(C)[nH+]1,0,GDB MedChem
160175,C[NH2+]C1CC([NH3+])(CC2CCC(C)O2)C1,0,GDB MedChem
73108,C=C1C2C=CC=CC(=C)C2C1CO,0,GDB MedChem
273778,C#CC1=C2CCC1CC(C)C([NH3+])CC2C,0,GDB MedChem
267551,CC1CC(=O)CC2(CO)C=CCC1C=C2,0,GDB MedChem
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71817,C[NH2+]C(C)C(C)NCC(N)=O,0,GDB MedChem
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68090,COC1COC(=O)C1(C)CO,1,GDB MedChem
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13203,CC(OCC#N)C1C(O)C1(C)O,0,GDB MedChem
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174144,C=C1CCC(C)OC(C)C12CC2[NH3+],0,GDB MedChem
109062,CCC1=CC(C)C2CC(C#N)C12C(C)=O,0,GDB MedChem
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324352,C#Cc1cc(NC)cc[nH+]1,0,GDB MedChem
113813,CCC1(COC)CC2COCC21,0,GDB MedChem
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325450,CCC(=O)OCC1C=C(C)CCC1O,0,GDB MedChem
99348,C#CC(C)C1CCCC(C)C1C,1,GDB MedChem
76154,CCC(O)COC1C(O)C1[NH2+]C,0,GDB MedChem
347730,CC#CC(CO)(CC(=O)CO)[NH2+]CC,0,GDB MedChem
135559,C#CC(COC)C1CC1C,1,GDB MedChem
87190,CCC1=CC=CC([NH3+])C2CC3=CCCC132,0,GDB MedChem
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381332,CC(=O)C1=CC=CC(C#CC(C)(C)C)=CC1,0,GDB MedChem
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39396,CCc1[nH]cc2cccc-2c1C([NH2+]C)C(C)C,0,GDB MedChem
69768,CCOCc1c(C)cc(O)cc1C1CCCC1,1,GDB MedChem
373305,O=C([O-])CC1(O)C2CCC21,1,GDB MedChem
47611,CCC1=CC(C[NH3+])C2=C(C)C(C)OC12,0,GDB MedChem
56388,CC[NH+]1CC2CC=CC2C(CO)C1C,0,GDB MedChem
254006,CC1C=CC(C(=O)S(N)(=O)=O)CC(O)(C#N)C1,0,GDB MedChem
31692,CCCC1CCc2c(C)coc21,1,GDB MedChem
62748,CC1=C(C)C2CC(=CC1)COC(CO)CO2,0,GDB MedChem
297719,C[NH2+]C1CCCc2ccc(C)cc21,0,GDB MedChem
84097,C#CC(NC=O)=C(C(=O)[O-])C(C)[NH3+],0,GDB MedChem
23158,C#CC1(OCc2nccs2)CC1,1,GDB MedChem
7034,C#CC1C=CC2(C)CCC2O1,0,GDB MedChem
353639,[NH3+]CCCCCOCC(O)CO,0,GDB MedChem
163950,CC(O)C(C)C([NH3+])CCNc1cc(C[NH3+])[nH]n1,0,GDB MedChem
73119,C#CC12CCC1C=C(C[NH2+]CC)C=CC2=NO,0,GDB MedChem
67201,[NH3+]CC1=CC2OCCC=C2CC1,0,GDB MedChem
267485,C[NH2+]CC1C(C)=CCCC=C(C)C1C#N,0,GDB MedChem
240204,CCC(C)C1OCC(CC)(CC)C1O,0,GDB MedChem
16171,CC#CC(C)C1C=CC(O)C1C,0,GDB MedChem
272132,C=C1CCC(=O)NC(=C)C1=C(C)C,0,GDB MedChem
283490,CC1=CC2CC1CC1(C2)OCC1C,0,GDB MedChem
56978,C[NH2+]C1C(N)C(C)C1(O)CC(=O)[O-],0,GDB MedChem
223861,CC12C=CC=CCC1CC[NH2+]2,0,GDB MedChem
59398,CCC(=O)NC(=O)C1CC1[NH3+],1,GDB MedChem
359723,CC#CCC12NC(C)COC1C=CC2=O,0,GDB MedChem
59772,CC1=CCCC(C)(C(C)C)COC1,1,GDB MedChem
62615,C#CC1=C(C(C)=O)C[NH2+]C1(C)C,0,GDB MedChem
211721,CC(C)COC1CC(C)OC(=O)C1(C)C(C)O,1,GDB MedChem
318438,CC[NH+]1CC2(CCOC2)C1,0,GDB MedChem
22353,COC1(CNC(=O)C#CC(=O)C#N)CC1,1,GDB MedChem
137567,C#CC1=C(C(C)C)CCCOCC1=O,0,GDB MedChem
219847,CC1=CC=C2C(C(=O)CO)=CCC2C=C1,0,GDB MedChem
316850,CC(=O)C1C=C(C#N)CC12CC2O,0,GDB MedChem
278360,CNC(=NCC(O)CCO)c1ccco1,0,GDB MedChem
55926,CC([NH3+])CC1=CCC2CC2(C(C)C)C1[NH3+],0,GDB MedChem
228971,CC(=NO)C1CC2=CC[NH2+]C2C1=NO,0,GDB MedChem
79,CC1=CC=C2C[NH+](CC=C2CC2CC2)CC1,0,GDB MedChem
66427,C#CC(C)CCC[NH+](C)C1CCC(C)(C)CC1,0,GDB MedChem
155967,CC(C)CCC1=CC(=O)COC1C,1,GDB MedChem
275261,CCCCC1OCC(O)CO1,1,GDB MedChem
311265,C#CC1NC(C[NH3+])C(C#N)NC1CC,0,GDB MedChem
353454,CCc1c(C)[nH+]c(C)c2c1OC(C)(C[NH3+])O2,0,GDB MedChem
330685,CCC#CC(C)(O)CCC#N,1,GDB MedChem
294153,C#CC1=CC([NH+](C)C)CCC2CC2C1,0,GDB MedChem
16913,N#Cc1csc(CCC2C=CCC23CC3)c1,0,GDB MedChem
10890,C#CC(C)CC1=C2C=CCCC2C([NH3+])C1,0,GDB MedChem
174550,CC1=CC2(N(C)CC#N)COC2C[NH2+]CC1,0,GDB MedChem
55812,C=C(C[NH3+])C(CCNC(N)=O)[NH2+]C,0,GDB MedChem
14045,COc1c(C)ncc2c1CN(C)C2,1,GDB MedChem
67140,C[NH2+]Cc1occc1C[NH3+],0,GDB MedChem
89861,CC(O)CCC1(O)CC1,1,GDB MedChem
198920,C#CC1=CCC2C=CC3(C[NH2+]C3)C2CC1,0,GDB MedChem
241887,CCNS(=O)(=O)OC1CC=CC12CC2CC,0,GDB MedChem
187368,CC(O)C(C)[NH2+]CC#Cc1conn1,0,GDB MedChem
34508,CC1CCC(C2CCCC2)[NH2+]C(C)C1CC[NH3+],0,GDB MedChem
24169,CCOc1cc(O)c(-c2cc[nH]c2)nc1C,1,GDB MedChem
279479,C=CC1=CC(=O)C(C)C=C(C)CC1,1,GDB MedChem
131113,CC1C(O)C#CC(O)CCS(=O)(=O)C1C#N,0,GDB MedChem
6181,C#CC(CO)(NC)C(=O)c1ccn(C(N)=O)n1,0,GDB MedChem
2848,C=CC1[NH2+]C(CCO)C1C[NH2+]CC,0,GDB MedChem
242508,ON=C1CCC2=CCCC=C(C3CC3)C21,0,GDB MedChem
387803,CC1C(=O)C=CCC#CC2C=CCC21C,0,GDB MedChem
174513,CC#CC12CCC1C2C[NH3+],0,GDB MedChem
193371,CC(O)c1cnc(CO)n1C,1,GDB MedChem
101788,C#CCC(O)C1CC(=O)C2CCCC1(CC)O2,0,GDB MedChem
286610,C#CC1CCCCOC(C)C1C(CC)CCO,0,GDB MedChem
109267,C#CC1=CCC2CC2C(=O)C1C,1,GDB MedChem
92253,CCC1([NH2+]C)CC2OCC1C2C,0,GDB MedChem
23177,CC1C2CC3=C(COC3=O)C(CO)C12,0,GDB MedChem
201750,CCOC(=O)c1cc2c(cc1Cl)C[NH2+]C2,1,GDB MedChem
30769,OCC(O)c1cnccn1,1,GDB MedChem
15089,CC([NH3+])C(C)(CO)C(C)[NH+](C)C,0,GDB MedChem
55470,C#Cc1c(CCC)nc2ccoc(C)c1-2,0,GDB MedChem
198506,C=C(C=CC(C)O)CC=CCCO,0,GDB MedChem
32867,C#CC(=O)C1C[NH2+]CCC1C1COC1=O,0,GDB MedChem
124703,CC1(C#N)C=CC(C(=O)C#CCO)C1,0,GDB MedChem
113428,CCCC1=C(CO)C=CC(CC)(CC)C=C1,0,GDB MedChem
123932,CC1C2C=CCC1OC(S(=O)(=O)C#N)CO2,0,GDB MedChem
31254,CC1CC2=C3C(C#CCCCN2C=O)OC31,0,GDB MedChem
193357,CCOCC(CC)(CC)OC(C)C[NH3+],0,GDB MedChem
179551,CCC=CC=CC=CC(=O)C(C)=O,1,GDB MedChem
14982,CCCC1NC(NCCO)=[NH+]C12CC2,0,GDB MedChem
220596,CC1C#CS(=O)(=O)CC(O)CC=C1,0,GDB MedChem
170317,CC1CC2CC(CO1)[NH+](C)C2C,0,GDB MedChem
45506,CC1CC([NH3+])C1=C1CCCC2(CC2)C1,0,GDB MedChem
226092,CC1C=CC2C1C2(O)COC(C[NH3+])C[NH3+],0,GDB MedChem
357866,C[NH+]1CCCC=Cc2noc(=N)cc2C1,0,GDB MedChem
147458,N#CCNCC(=O)N(c1cscn1)C1CC1,1,GDB MedChem
114146,CC[NH+](C)CC1CC[NH+](CC(C)(C)OC)CC1,0,GDB MedChem
380535,COC1(C)C=C(C)CCO1,1,GDB MedChem
362545,C=C(C)C(CCOCC)CC(N)=O,0,GDB MedChem
245435,C#CC1C=C(C)N(C2CC(S(=O)(=O)[O-])C2)C1=O,0,GDB MedChem
359532,CCn1cc2c(C)c1CCCCOC(C)(C)C2,0,GDB MedChem
155402,CCC1=CC2CC=C3CC[NH+](C32)C1(C)CC,0,GDB MedChem
138700,CCN1CC2(C1)CN(C)C(=O)C(=NO)CN2,1,GDB MedChem
32737,C#Cc1cc(N)c2cc(C)c(C#N)cc2c1,1,GDB MedChem
268366,COC1C=CCC(C#N)(CC=NO)CC1=NO,0,GDB MedChem
65506,O=C1CC=CC2CCCC2(O)C1,1,GDB MedChem
176316,NCC(N)(C[NH3+])C1CCC[NH2+]1,0,GDB MedChem
263001,CCC1=C(C[NH3+])C=CCC(C)=C1,0,GDB MedChem
301022,CCC1C(=O)OCC(C)C1C(C)(CO)CC#N,0,GDB MedChem
129970,C#CC1C2C=C(C)C(C)[NH2+]C12,0,GDB MedChem
62384,C#CCC1=C(CO)C=C(C2CCO2)CCC1,0,GDB MedChem
130010,CC12CCC(O)C=CC1C2O,0,GDB MedChem
5919,CCC12CCC(COC)C(C[NH+]1CCC[NH3+])C2,0,GDB MedChem
186850,C=CC(C)(CO)C(=O)NC1COC1,1,GDB MedChem
241386,C#CC1CC(=O)CC1CC(CCC)C(C)CC,0,GDB MedChem
316800,C=C(CC)CCC1COC(=O)CO1,1,GDB MedChem
495,CC1OCC(C[NH+]=C(N)N)C(C(O)CC[NH3+])O1,0,GDB MedChem
267831,COC1(C)CC(O)C=C1C(O)CO,0,GDB MedChem
39397,CC=CC(=C1C=CC(=O)C1)S(C)(=O)=O,0,GDB MedChem
286759,C#CC1=C2CCC(CO)=CC2OCC=CC1,0,GDB MedChem
297813,N#CC1NC(=O)C2CC1CO2,1,GDB MedChem
262439,CCCC(C)C(C#CC1CC1O)CC,0,GDB MedChem
336507,CC(C)(C)C1(N)c2ccccc2C2CC[NH2+]C21,0,GDB MedChem
335431,CCC(O)C[NH+]1CCC(=NO)C12CCC2,0,GDB MedChem
9073,C#CC(CC[NH3+])(C(N)=O)C1C([NH3+])CC1O,0,GDB MedChem
596,Cc1ccccc1CNC(=O)n1cccc1,1,GDB MedChem
280112,CCc1csc(N2CCCC(=NO)CC2)c1,1,GDB MedChem
115683,C[NH+]=c1ccoc(NC2(C)CC(C[NH3+])C2)c1,0,GDB MedChem
313157,CC1=CCC(C)NC(S(N)(=O)=O)C1,0,GDB MedChem
195973,C[NH2+]CC(C)Cc1ncsc(=N)c1O,0,GDB MedChem
300867,C#CCCC1(C[NH2+]C(C)C)CCC[NH2+]C1CC,0,GDB MedChem
294820,CC([NH3+])C(N)CN1CC(N)=CC1=O,0,GDB MedChem
188396,C#CC1CC(O)C(O)(C#N)C1C,0,GDB MedChem
64184,CC1CC=CC2(C(=O)[O-])CCC1C2C[NH3+],0,GDB MedChem
270839,CCCCCCCC(C)N1CC(CC)[NH+]=C1N,0,GDB MedChem
38849,CCC1N(C)C(=O)N(C)CCC1(C)CC,1,GDB MedChem
14265,CC1=CC(CC(C)C)CCCc2sncc21,0,GDB MedChem
383528,N#CC=C(CC(N)=O)C(CO)CO,1,GDB MedChem
136870,CC(C[NH2+]C1COC(=O)C1N)C(O)C[NH3+],0,GDB MedChem
194668,CC#CC1C=CCCC=C1,1,GDB MedChem
110622,Cc1c(O)cc(CC2CCCCC2)c(C)c1C,1,GDB MedChem
228675,CC1COC2CC=C(CC1[NH3+])C([NH3+])CC2,0,GDB MedChem
27879,CCC(O)CC1C[NH2+]CC1n1c(O)ccc1O,0,GDB MedChem
86802,C#CC1=CC=C2CCC3(COC3)C12,0,GDB MedChem
57338,[NH3+]CC1=CCC2[NH2+]C1C(O)C2O,0,GDB MedChem
300630,CC1OC(C(C)(C)C[NH3+])C1[NH3+],0,GDB MedChem
205728,N#CC1CC2C(CCCO)OC2CCN1,0,GDB MedChem
124466,CC1=CC(=O)OC1C,1,GDB MedChem
174123,CCC1=CC2=CCC#CC=CC=C1C2,0,GDB MedChem
369521,[NH3+]CC#CCCC1OCCO1,0,GDB MedChem
101736,C#CC(C)C1CC2(CCC=C2C)C1C[NH3+],0,GDB MedChem
235406,CC[NH2+]CCN(C)c1c(C)[nH]c(C(C)C)c1C,0,GDB MedChem
155989,CN(c1ccc[nH]1)c1cccn2cccc12,1,GDB MedChem
78482,C#CC(C)C(CCCC)C(C)(C)[NH+](C)CC,0,GDB MedChem
17243,C#CC1=CN(C)C(=O)NC=C1C1CC1,0,GDB MedChem
395045,CC1=CCOC(C[NH3+])CCCC1,0,GDB MedChem
164076,CC[NH+](C)CC1C(N)C2([NH3+])CCCC12,0,GDB MedChem
210468,Cc1ncc(C(C)([NH3+])CCO)nc1O,0,GDB MedChem
63733,[NH3+]C1CC2CC3CC=CC3=C12,0,GDB MedChem
358769,COCC([NH3+])C1C=CC=CCCCO1,0,GDB MedChem
59381,CC1([NH2+]CCCC(N)=O)CC1,0,GDB MedChem
99287,C#CC1CC2OCCCC(CNCC#N)C1O2,0,GDB MedChem
360171,CC(=O)C1C(C)C=C(C)C1NCC(F)(F)F,1,GDB MedChem
76633,C[NH2+]C1CCC=CCC1CC([NH3+])CC#N,0,GDB MedChem
216842,CC1CC(=O)C(C)C12CCOC2,1,GDB MedChem
370532,CC(C)C1=CC(=O)N(C)C2C(C)[NH2+]C2(C)C1,0,GDB MedChem
23157,CC1=CCC(C)OCC1C1CC1CO,0,GDB MedChem
241165,C#CC(CO)C12CC1CC2O,0,GDB MedChem
109942,NC(=O)NC12COC1CCC([NH3+])C2,0,GDB MedChem
390269,CC(CC1=C2CCC=CC23CC3[NH2+]CC1)=NO,0,GDB MedChem
336313,CCCC1CC(c2cc[nH]c2NC)NC(N)=[NH+]1,0,GDB MedChem
41576,CCC1C(CC2CC(C)([NH3+])C[NH2+]2)OCC[NH+]1C,0,GDB MedChem
240245,CC1COC(C2(C3CCC3)CCCC2)O1,1,GDB MedChem
248573,CCOCCNc1cc(CCCO)n[nH]1,1,GDB MedChem
92274,C#CC1[NH2+]CC2([NH3+])CCC(C)C12,0,GDB MedChem
99154,CCCc1ccn(C2=CCOC23CC3)c1,0,GDB MedChem
32963,CCC(=O)C(C)CC(C)CC1CNCC(=O)O1,0,GDB MedChem
369807,CC1Cc2cc(n(C)n2)CCC(C)(O)CCO1,1,GDB MedChem
392658,COC(=O)N1C=CC[NH2+]C2CC2C1,0,GDB MedChem
116261,C=C1C2CCC1C(C=CC(C)C)O2,0,GDB MedChem
373142,CC(O)C1CCNC(=O)OC1C(C)O,0,GDB MedChem
188391,C#CC1C=C(C)C(C)C2(CC2)OCC1,0,GDB MedChem
342778,CCc1ccc(-c2ccc(C(C)C)o2)cc1,1,GDB MedChem
226097,CCC(CC)(C[NH2+]C(C)C)N1CCC(O)CC1,0,GDB MedChem
358758,CC1C(C(=O)[O-])C[NH2+]C1(C)C,0,GDB MedChem
58226,OCCC(O)C#CC1COC1,1,GDB MedChem
340047,CC1OCC(O)(CS(=O)(=O)N2CC([NH3+])C2)C1C,0,GDB MedChem
327370,C#CC1=CC[NH+](CC)C1C,0,GDB MedChem
5182,CCC#CC1C([NH3+])C2OCCC12,0,GDB MedChem
144236,CCCCC(C)(C)CC(O)c1ncsc1CC,1,GDB MedChem
300600,CCC(COC)[NH2+]Cc1nc2scc(C)c2s1,0,GDB MedChem
299801,C#CC1CNC(=O)CC1c1ccoc(=NC)c1,0,GDB MedChem
291132,C#CC(CCC1(C)CCCO1)COCC(C)C,1,GDB MedChem
197376,CCCC1(C#N)CCC(=O)CC1,1,GDB MedChem
268216,CCC1CC(CC2CC=CC2)(OC)C1O,0,GDB MedChem
59395,C#CC1CNC(=O)C(C2CC2)=C(C)C1,0,GDB MedChem
358741,N#CC1NCC=CC2C=CNC(=O)NC21,0,GDB MedChem
387143,C#CC(CC)Cc1cc2cc(C)cc-2oc1C,0,GDB MedChem
282867,CCCC(C1CCO1)C(O)(C[NH3+])C[NH3+],0,GDB MedChem
307335,C#CC12CCCCOC1CC(C)C2CC(C)C,0,GDB MedChem
170880,C#CCN1CC(O)C1C(N)=O,1,GDB MedChem
240914,CC1(C#CC#N)CC1C[NH3+],0,GDB MedChem
36624,CCC(C)(C)C1C(=O)C(C)CC2OCC21,0,GDB MedChem
27446,CC[NH+](C)CCC1CC(CC)(CC)C(C)C1C,0,GDB MedChem
207201,C#CC1CC(=O)C1CC(O)C#N,1,GDB MedChem
56972,CC1C=CCC([NH3+])C1=C1CC(C)(C)C1,0,GDB MedChem
183923,Cc1c(O)cc2c3c(C)ccc(C)n3ccc1-2,0,GDB MedChem
215159,CCC(CN)[NH+](C)C(C)(CC)C1CCOCO1,0,GDB MedChem
205366,CCC=C(C#N)c1c(N)coc1C,0,GDB MedChem
239021,NC1=CC(=O)C(=NO)C2CC=CC1N2,0,GDB MedChem
169691,NC(=[NH2+])NC1CC2CCCC(O)C1(O)C2,0,GDB MedChem
277301,CC1OC2CCC(CO)CC1OCC2=O,0,GDB MedChem
5181,CC(C)(C)C1(CC#N)CCCC(=O)O1,1,GDB MedChem
260466,C#CC1C2[NH+](C)CCCC=CC12C,0,GDB MedChem
133854,CCC1(CN)C[NH2+]C(CCCC#N)CCC1[NH3+],0,GDB MedChem
131402,C#CCCc1ncn(C)c1C(CCC#N)[NH2+]C,0,GDB MedChem
78238,CC1(C2CC2)CCC2OCC=C21,0,GDB MedChem
83705,CC#CC1(C)CCC=CC(=O)CC(=NO)C1C,0,GDB MedChem
162255,CCCC(CCCCCC#N)N=c1scns1,0,GDB MedChem
210692,CC#Cc1nc(-c2nc(C)c(C)o2)c[nH]1,1,GDB MedChem
141032,CCC(O)C1OC(=O)CC1[NH3+],1,GDB MedChem
242252,C#CC1CC2[NH+](C)C(C1)C21CCC(CC)C1,0,GDB MedChem
120996,CCC1CCC2[NH2+]C(C)C=C12,0,GDB MedChem
198902,C#CCC1=CCCCCC([NH3+])C1(C)C,0,GDB MedChem
276967,C[NH2+]C1C(=O)NCC1C1(C)CC(C)C1,0,GDB MedChem
219262,C#CC1C=C(C2CC2)C[NH+](CCCC)CC1,0,GDB MedChem
105154,C#CCOC1CC(C)C(C(C)C)C12CCCC2,1,GDB MedChem
130517,CC1=CC=C(C[NH3+])CCN(C(=O)C[NH3+])C=C1,0,GDB MedChem
86610,C[NH+]1CC(C(=O)NCC2CCC2=O)C1,0,GDB MedChem
343169,CCC1CC(CO)(C2CC2)C1[NH3+],0,GDB MedChem
78227,C#CC1CC1(C(=O)C(=O)NC)c1cc[nH]c1,0,GDB MedChem
138444,C#CC1(C2C=C(CC)C(C)OC2)CC1[NH2+]C,0,GDB MedChem
198217,C[NH2+]CC=CC#CCn1cccn1,0,GDB MedChem
360008,C=C1C=CC(C2CC2)C=CC(=O)C1,0,GDB MedChem
376607,CCC1(O)CCCC(C[NH2+]C)C1,0,GDB MedChem
90144,C#CC1CC23CCC2OC(C3)C1=O,0,GDB MedChem
139189,CNC1C[NH2+]CC=C2CCC(=O)OC21,0,GDB MedChem
232801,C[NH2+]CC1=CC2CC2(O)C(C)CCCC#C1,0,GDB MedChem
139412,C[NH+]1CC2C(C1)C2C1CCOC1,0,GDB MedChem
377416,CC1CN(C(=O)C2=CCCC2)C1,1,GDB MedChem
175485,CC#CC1(O)COC1CNC=O,1,GDB MedChem
72354,O=C1CCC(=O)C2(CO)COC1C2=O,0,GDB MedChem
217599,CCN=c1oc(Cc2occc2C)cs1,0,GDB MedChem
118331,C#CC1(C#N)C=C2CC=CCC3CC3C2C1,0,GDB MedChem
329924,COC1CCCCCOCC1C1CCCCC1,1,GDB MedChem
391941,C#Cc1csc(C)c1CCC1C2CCC1CC2,1,GDB MedChem
358650,O=C1NCC#CC=CC2C=C1C(=O)S2(=O)=O,0,GDB MedChem
136983,OCC12CCC1OCC1C=CC[NH2+]C12,0,GDB MedChem
276023,CC1(O)C(=O)C(n2cccn2)CC1CNC=O,0,GDB MedChem
352048,C#CCCc1cc(N2CC=CC2)[nH]n1,1,GDB MedChem
27706,CCC1C#CCC(O)C(C)([NH3+])CC=C1C,0,GDB MedChem
252760,N#CCC12COC(CN1)C2,1,GDB MedChem
67290,CCC12COCCC(OC)C1C([NH3+])C[NH2+]2,0,GDB MedChem
292775,CNC1(C(C)[NH3+])CNC1=O,0,GDB MedChem
332160,COC12CC=CC(C(C)C)=CC1OC2,0,GDB MedChem
346703,Cc1cc2c([O-])csc2cc1F,0,GDB MedChem
335762,C[NH2+]C1C(C(C)O)OC1(C)C,0,GDB MedChem
27726,C#Cc1c(C)cc(CC)cc1C,1,GDB MedChem
357215,C#CC(C1COC1)C1OC(CC)C1O,0,GDB MedChem
238990,CC#CCc1c(N)c(CCCO)nsc1=N,0,GDB MedChem
123732,CC1CC2=CC(CC3[NH+]1CC3(C)O)OC2,0,GDB MedChem
18985,C#CCCC1CCC(CC)C1(C)CC[NH+](C)C,0,GDB MedChem
211379,CCC1OCC12CCC=CCC(O)CC2,0,GDB MedChem
123777,CC12CCC3C=CC(C1)C32,0,GDB MedChem
37759,CCCC(C)(C)[NH2+]C1CC[NH2+]C1,0,GDB MedChem
349286,CC1=C2C=CC[NH2+]C(C)(C)C2OC1C,0,GDB MedChem
273721,CCC1=C(C)C(C(=O)NCC#N)OCC1O,0,GDB MedChem
6997,C[NH2+]C1CC2(OC)CC1CC2C,0,GDB MedChem
367195,C#CC(N)C(C=CC(N)C[NH3+])[NH2+]C,0,GDB MedChem
216122,CC1(C)C=C(C(N)C#N)CCCCC1,0,GDB MedChem
198864,CC1[NH2+]CC(O)c2[nH]cnc2CCCC1(C)C,0,GDB MedChem
144,CCN(C)c1ncoc1C,1,GDB MedChem
280415,CNC(=O)CC12CC[NH+](CC1C[NH3+])C2,0,GDB MedChem
122519,O=C1COCC1C1CC(=O)C2C[NH2+]C21,0,GDB MedChem
387137,C#CCOC1C(N)C1[NH3+],0,GDB MedChem
52092,CCC(C)(CCO)COCCC1CC([NH3+])C1,0,GDB MedChem
253085,CCc1c(COC(C)C)ccc2cc(C)sc12,1,GDB MedChem
129471,CC#CC1(O)CC1C[NH2+]C,0,GDB MedChem
185797,CC[NH+](C)C(C)(CCO)CCC(C)(C)CO,0,GDB MedChem
256927,CCCOCC1(C)CCC(C)O1,1,GDB MedChem
389003,CC#CC(C)C1CC(C(C)CCCC)O1,1,GDB MedChem
89601,CN1C(=O)C2NC(CO)C21,0,GDB MedChem
381023,C[NH2+]CC(C(C)=O)C(C)(C)OC1(C)CCOC1,0,GDB MedChem
113370,C#CCC(C)(CC)C1(C)[NH2+]C2CCCCC1C2,0,GDB MedChem
236091,CCC1CC2CC[NH2+]CC1(C)C2,0,GDB MedChem
294043,CC(O)CC1NC(C)C1=NO,0,GDB MedChem
347411,C#CC1C=CC2(C(C)CC)CC2C1=O,0,GDB MedChem
94045,CCC(CC)Cc1ncc(=O)n2ccoc12,0,GDB MedChem
347432,CC(=C1CC(=O)C(C)(C)C1)C(C)O,0,GDB MedChem
131150,C[NH2+]C1CCCCC2(CO)C(OC)C12,0,GDB MedChem
7027,Cc1n[nH]c(N(CC(C)C)C(C)C)c1C(C)[NH3+],0,GDB MedChem
273708,C[NH2+]C1CCC1C#Cc1c[nH]nc1C,0,GDB MedChem
81363,CCC(C[NH3+])(CCO)C1CCC(=O)OCOC1,0,GDB MedChem
270675,C=CCC(=NO)C(C)=CC#CC(N)=O,0,GDB MedChem
63953,CC(C)(C)C12CC1CC1CC12,0,GDB MedChem
64009,C[NH+](C)Cc1coc([O-])c1C(C)(C[NH3+])C[NH3+],0,GDB MedChem
302089,CC#CC1=CC(=O)C(C)C(=O)C1,1,GDB MedChem
239903,C#CC1C=CC2(C[NH3+])CCC12,0,GDB MedChem
132611,[NH3+]C1C(O)C[NH2+]C2(CO)CCC=CC12,0,GDB MedChem
336283,O=C1CCC1C#CC1CC[NH2+]1,0,GDB MedChem
301056,C[NH2+]C1CCCCC(C)CCC(C)C1,0,GDB MedChem
293642,CC#CCC(CC[NH3+])C(N)=O,1,GDB MedChem
285427,CC1C=CC2(O)C([NH3+])C2CC[NH2+]CC1,0,GDB MedChem
293520,C#CC1=C(CC(=O)CC)CC[NH+]2CCC1C2,0,GDB MedChem
165547,[NH3+]Cc1ncc(NCC2CC2)c2ncsc12,0,GDB MedChem
117752,OCc1ccc2occc2n1,1,GDB MedChem
36334,C#CC1=C2CC(CCO)C=C2C=CC=C1,0,GDB MedChem
164845,CC[NH2+]C(CO)C1(C)CCOC(=O)N1,0,GDB MedChem
301805,CCCC(CC)(CC)c1c[nH+]c(C)[nH]1,0,GDB MedChem
357874,N#CCOC1C(=O)C2CCC1N2,1,GDB MedChem
251144,COCC1C2=CCCC2C1C[NH3+],0,GDB MedChem
170773,[NH3+]CCOCC12COC1C2[NH3+],0,GDB MedChem
178982,CCCC(C)C#Cc1[nH]ccc1CC,1,GDB MedChem
69281,C=CCC1CC([NH+](C)CC)CC1[NH3+],0,GDB MedChem
94582,CCC1CCCC(CCO)C1C(C)O,1,GDB MedChem
25708,C1=CC2NCCOC2C[NH2+]C1,0,GDB MedChem
178139,CCC1=CCC(C[NH3+])=CC=CC2[NH2+]CC2=C1,0,GDB MedChem
236094,CC(C)C1CC2CCC(CC1C[NH3+])[NH+]2CCN,0,GDB MedChem
82272,C[NH+]1CC2=CCCCOC3COC23C1,0,GDB MedChem
330838,CCC1CC1C1CC1C(=O)[O-],1,GDB MedChem
186358,O=C1CC=CC(=NO)CN1,1,GDB MedChem
72865,Cc1ncc(-c2c(N)cc[nH+]c2N)n1C,0,GDB MedChem
16921,C[NH2+]C(C[NH3+])C(C#CC(=O)[O-])CCC[NH3+],0,GDB MedChem
388992,C#CC1([NH2+]CCCc2cc(O)c[nH]2)CCCC1,0,GDB MedChem
275958,CC1C(=O)C=CNC(=O)C1NC=O,1,GDB MedChem
78066,N#CC1CNC(=O)C2CCC12,1,GDB MedChem
297947,[NH2+]=c1sccn1C=CC#CC1CC1,0,GDB MedChem
123686,CC1C2CC=CC(=NO)C1(C1=CC[NH2+]C1)C[NH2+]2,0,GDB MedChem
24204,CC1=C(C([NH3+])C2CC2)C=CCC=C1C[NH3+],0,GDB MedChem
240319,C#CC1=CC=C2CC(O)CC=C2C(=O)C1,0,GDB MedChem
47008,COC1(C)CNc2ncc(C)c(C[NH3+])c2NC1,0,GDB MedChem
37858,C=C1CC(C2=CCCC=CC2=NO)C1,0,GDB MedChem
264079,C#CC1(C)C(C#N)CC1C1CCCO1,0,GDB MedChem
106885,C[NH2+]C1CC(CC[NH3+])=CC1O,0,GDB MedChem
124363,CCC1[NH2+]C2C=C(C)CC21C,0,GDB MedChem
376625,CC1([NH2+]C2CCC2)CC=CCC1,0,GDB MedChem
222304,CCC1CC2Cc3c(ccc(O)c3F)C[NH+]1C2,0,GDB MedChem
319454,OCC(O)CC(O)C1CCOC1,1,GDB MedChem
49196,C=CC(O)C=C1CC([NH3+])C(OC)C1,0,GDB MedChem
15229,CC1=C(C(C)C#N)C=CC(N)C(C)(C)[NH2+]C1,0,GDB MedChem
45139,CCC(O)C1COC1C(C)C[NH3+],0,GDB MedChem
93324,OCCCCC(O)C1CC1C1CC1,1,GDB MedChem
86504,C#Cc1cc(C)cc(=O)[nH]1,1,GDB MedChem
16905,NC(=O)COC1C(C[NH3+])=CC2CC21,0,GDB MedChem
395849,COC1c2ccncc2C(C(C)C)CCC1C,1,GDB MedChem
72198,CCC1=C(C)C(C2(O)CC2O)OCC1,0,GDB MedChem
232788,[NH3+]C1CC2CCNC(=O)COC1O2,0,GDB MedChem
49000,CC=C1C[NH2+]C(CO)C(O)C1C[NH3+],0,GDB MedChem
109061,CCCCC(C)c1c(C)cc(C)cc1N(C)C,1,GDB MedChem
396818,N#CC1CC=C2C(O)CCC2O1,0,GDB MedChem
52136,CCC1(C)CC(C)=CC=C(C)C[NH+]1C,0,GDB MedChem
286369,C#CC1CC(CC)OCOC1C,1,GDB MedChem
112720,COC(C)C1C=CCN(CC2CC[NH2+]2)C1,0,GDB MedChem
76245,CCOC1CCC[NH2+]CC1,0,GDB MedChem
245670,CC12CC1C(OC(=O)CN)CC2CCO,0,GDB MedChem
329177,C#CCC12CCCC1CC2CC#N,0,GDB MedChem
174781,CC1CC2(C=C1NC=O)CC(CN)[NH2+]2,0,GDB MedChem
102883,COCC(C)(C)C(C)C(C)(C)c1ccccc1,0,GDB MedChem
39368,C[NH2+]C(C)C1CCC2(C[NH3+])C=C(C[NH2+]2)CO1,0,GDB MedChem
183013,C#Cc1cc2c(cc1CC)C(C)C1C[NH2+]CC21,0,GDB MedChem
44210,CC#CC1(N(C)C=O)CC=CC1,0,GDB MedChem
290389,C#CC(O)C(CCCC(C)(CO)OC)C[NH2+]C,0,GDB MedChem
362468,C#CC1C(C(C)=O)=CC(OC)C1O,0,GDB MedChem
336527,C#CC1CC2NC(=O)NC12CC(=O)[O-],0,GDB MedChem
178869,COC1(C[NH+](C)C)C=C2CC([NH3+])C2O1,0,GDB MedChem
340055,OC1CC2=CC[NH2+]C2C1CC[NH+]1CCCC1,0,GDB MedChem
130529,C[NH2+]C1C(=O)NCC2COC1C2,0,GDB MedChem
125476,CCC=C1C=CC2CCOCC1O2,0,GDB MedChem
137836,COC(=O)N(C=O)C1CC=C2C(C)[NH2+]C21,0,GDB MedChem
15804,C#Cc1[nH]ncc1CC(=O)CO,1,GDB MedChem
141215,C#CC1Nc2c(ccc(C#N)c2C[NH3+])C1[NH3+],0,GDB MedChem
282057,CC1(NCC#N)CCOC(=O)OC1,1,GDB MedChem
164921,C=C1C=C2C=CC(C)=CC2([NH3+])CC1,0,GDB MedChem
266951,C#CC1(CC2=CCCC2)CCC(C)O1,0,GDB MedChem
132047,CC(C)C(C)C1(CCCC(C)(C)O)CC1,1,GDB MedChem
350641,CC#CC(CO)C12CCC1C(C)=C(C)C2,0,GDB MedChem
10546,C#Cc1n[nH]c(CCCC)c1C(=O)C1CC1,1,GDB MedChem
224397,CC1=C(CO)CCCC12CC2C,0,GDB MedChem
358388,CCCCC1(CC)CC(C)CC([NH2+]C(C)C)C1,0,GDB MedChem
175992,CN=c1occcc1C1CC1,0,GDB MedChem
130569,C#CC(O)C=CS(=O)(=O)CC=CCC,0,GDB MedChem
1194,CC#CC1CCc2c(ccn2C)CC1=O,0,GDB MedChem
55473,C[NH2+]C1(CN)CCC(C#CCO)=C1C,0,GDB MedChem
3050,CC12CC=CC1CC(=O)C(=O)C2,0,GDB MedChem
183725,CCC1(C)CC=CC#CC(OC)OC1,1,GDB MedChem
185888,CC1=C(c2ncc[nH]2)CCCCC#CC1,1,GDB MedChem
127350,CCOC(=O)CN1CCC1,1,GDB MedChem
14624,CCN(c1cnc2ccscc1-2)C(C)(C)CC,0,GDB MedChem
139327,CCC1CC(O)C1OC(=O)C(C)O,1,GDB MedChem
290404,CCc1cc(F)cc(C#N)c1-c1conn1,0,GDB MedChem
295321,C#CC12CC(C)CC(C)[NH2+]C(CN1)C2,0,GDB MedChem
42345,CC(C)N(C)C(=[NH2+])Nc1cc2ncccc2o1,0,GDB MedChem
168941,CCC12C=CC=CCC=C(C[NH2+]1)C2,0,GDB MedChem
319604,CC1CCC(=O)N(C=O)C(C=NO)COC1,1,GDB MedChem
194853,C#CC1[NH2+]C(CC(C)CCC[NH2+]C)C1O,0,GDB MedChem
138690,C#CC1C(C)OC(C)C(C)OCS1(=O)=O,0,GDB MedChem
211016,O=CN1CC2CC1CC2O,1,GDB MedChem
393759,CC(=O)C1CC(O)C(NC=O)C1,1,GDB MedChem
52051,C#CC1=CC(=C)CC(C(N)C[NH3+])=C1,0,GDB MedChem
183721,C#CC([NH2+]C)C(CO)N(C)CC#N,0,GDB MedChem
46499,CCCC1CC2CC[NH2+]C1C2([NH3+])CCC(C)C,0,GDB MedChem
384906,C=CCC1=CC(S(=O)(=O)[O-])OC1(C)C,0,GDB MedChem
179075,CCC1(O)C=CC2CCCC21,1,GDB MedChem
210595,C=C1C=C(C)C2(CCC[NH+]2C)CC1,0,GDB MedChem
35829,CC(=CS(=O)(=O)[O-])C(=CC1CC1)CO,0,GDB MedChem
40683,CC1C2=C(CCC2[NH3+])C2CC12C,0,GDB MedChem
145891,Cc1cn(C(C)C)cc2c(C[NH3+])ccc1-2,0,GDB MedChem
96399,CCC1C=C(C)C2C=CC(=CCC1)C2,1,GDB MedChem
386987,CCCC(CNC1(C)CCC(C)[NH2+]C1)C(C)=O,0,GDB MedChem
295352,OCC1(C2=CC3OCC3C2)CC1,0,GDB MedChem
369136,CCOC12C=CCC1[NH2+]CC2,0,GDB MedChem
191807,Cn1cccc1C[NH+]1CCC(C)(C(C)(C)C)C1,0,GDB MedChem
270854,C#CC1C(C(C)=O)=CC2CCC(C)=C21,0,GDB MedChem
289591,C[NH2+]C1(CC2C[NH2+]CC2=O)CC1,0,GDB MedChem
198915,C[NH2+]CC(C)C(=O)CN=c1ccnn[nH]1,0,GDB MedChem
76894,CCC1CC2NC(=O)CC=C2C(C)O1,0,GDB MedChem
117734,CN1CCC([NH2+]C2(c3cn[nH]c3)CC2)C1,0,GDB MedChem
232034,CC1(OCC#N)CCCC1,1,GDB MedChem
29325,CCC1C2C=C(CC#CC=CC2=O)C1(C)O,0,GDB MedChem
336959,C#CCN(C)CC(C)C[NH+]1CCC(=NO)CC1,0,GDB MedChem
313167,CC(C)([NH3+])C1C(O)CC2CC[NH2+]CC1OC2,0,GDB MedChem
312916,CN(C(N)=[NH2+])C1(C(C)(C)[NH3+])CC1,0,GDB MedChem
205573,O=C(CO)C1C[NH2+]C12COC2,0,GDB MedChem
256562,C#CC1(CNc2cccc3c2CCN3)CC1,1,GDB MedChem
249008,CC1CC(C(O)Cc2cc[nH]c2C[NH3+])[NH2+]1,0,GDB MedChem
202161,CC#CCC1(C[NH3+])CN(C=O)C1,0,GDB MedChem
301820,OC1C[NH2+]CC1C1C[NH2+]CC1O,0,GDB MedChem
137800,CC1=Cc2cc(=N)nc(o2)CCCC#C1,0,GDB MedChem
94288,O=C1C=C(C2CC2)C(O)(C2=CCCC2)C1,0,GDB MedChem
93998,[NH3+]C1C2NC(COC3CC3)C12,0,GDB MedChem
349305,CC[NH2+]CCS(=O)(=O)C#CCC1CCN1C,0,GDB MedChem
64018,CCC(CC)(Cc1nn(C)c(C)c1C#N)OC,1,GDB MedChem
142105,C=C1C[NH2+]C12CCOCC(=O)C2C,0,GDB MedChem
161996,CC1(C)C2CC=C(CO)CC21,1,GDB MedChem
18983,CCC(CO)COc1ccn(C)c1N,1,GDB MedChem
48390,COC1CCC2(CC3CC3C2)C1O,1,GDB MedChem
276614,CCCNC(C#N)C(N)CO,1,GDB MedChem
206546,C=CC=C(C[NH3+])c1cnn(C=O)c1,0,GDB MedChem
180526,COC12CC1OC(C)CC2CO,0,GDB MedChem
76023,CC1=CC#CCOC(=O)CC2CC=CC12[NH3+],0,GDB MedChem
162051,CCC1CCCC(C)C(C)([NH2+]C(C)(C)CC)C1,0,GDB MedChem
560,CC(CO)(C1COC1)C1COC1C[NH3+],0,GDB MedChem
335324,C#CC(CC)(CC)C(CC)(CC)[NH2+]CCC,0,GDB MedChem
121202,N#CC1OCCC1(O)CNC(=O)c1ccno1,1,GDB MedChem
198899,CCC(C)C(CCCC#N)C1COC1,0,GDB MedChem
142098,CC1(O)COCC1[NH2+]CC(C[NH3+])C(=O)[O-],0,GDB MedChem
47579,C#CC1C2C(C(C)=NO)=CC3OCC=C3C12,0,GDB MedChem
5171,CC1CCCC(CC2C(C)CCC2C)CC1=O,0,GDB MedChem
116674,COC(C(C#N)=N[O-])C(O)C1C=CC(C)C1,0,GDB MedChem
117818,CCc1cc(CC)n(-c2c[nH]nc2NC)n1,1,GDB MedChem
246055,CC(C)C([NH3+])COC1CCC2[NH2+]CCC21,0,GDB MedChem
394658,CC1CC([NH3+])C[NH+]=C(NCCO)N1,0,GDB MedChem
292817,CCC1CC(=O)NCCOCc2c1c[nH]c2C,0,GDB MedChem
24369,COCc1ccc(CC[NH3+])cc1C(C)C(C)C,0,GDB MedChem
149101,[O-]N=C(CO)C12C=CCC1C=C1CCOC12,0,GDB MedChem
34030,C[NH2+]C1C(C)C([NH3+])C12CCN2,0,GDB MedChem
123888,CC(=O)N1CC(C)C2OCCC1CC2=NO,0,GDB MedChem
33664,CC1C=CCC2CC2(C)OC1,1,GDB MedChem
292762,CC1[NH2+]CCC(=O)C2(C)CC(C(=O)C#N)C1C2,0,GDB MedChem
33645,CC(C#N)(OC(N)=O)C1CC2CC(C[NH2+]2)N1,0,GDB MedChem
226716,CNC(=O)N1CCC(=O)NCC(O)(COC)C1,1,GDB MedChem
389315,CC(C)c1cc2c(c(C[NH+](C)C)n1)CC=C2,0,GDB MedChem
235434,COC1C=CC2C=CCC([NH3+])CC=C21,0,GDB MedChem
278679,C#CC1C2C=CC(CCC)C12,1,GDB MedChem
383524,OC1CC1C1=CCC2CCC12,1,GDB MedChem
46476,C#CC1=CCC(C)=CC1CC(C)=O,0,GDB MedChem
125371,CC[NH2+]C1CC(=NO)C(CO)OC1(C)C#N,0,GDB MedChem
93334,CC(C)C(=O)CC1CC2OCC2CC1=NO,0,GDB MedChem
116997,OCC(CO)C1NC2C[NH2+]CC21,0,GDB MedChem
32367,CC1C2C(O)C(=O)CCC12C,0,GDB MedChem
337532,CN1CCCC2=CC(C1)[NH2+]CCOCOC2,0,GDB MedChem
268908,CC1COCC(C#N)(C(N)=O)C(=O)C1C,0,GDB MedChem
52319,[NH3+]C1(C2CCC=C3C[NH2+]C32)CC1,0,GDB MedChem
218197,CC1C=CCN1C(=O)C1OCC1O,1,GDB MedChem
116215,[NH3+]CC1=CCCC1C(F)(F)F,0,GDB MedChem
187389,COC1C(=O)OCC1(C)C(C)CC[NH3+],0,GDB MedChem
182764,C#Cc1cnc2c(c1)C1(CCC1)[NH2+]C2,0,GDB MedChem
231913,C#CCC(O)C1[NH2+]CCC1C([NH3+])C(=O)[O-],0,GDB MedChem
339479,CCCC(C[NH2+]C)OC(C)C,0,GDB MedChem
200627,C=CC1([NH3+])CC(C(=CC[NH3+])CC)C1,0,GDB MedChem
245190,CC1=CCCCOC1C(C)C,1,GDB MedChem
316763,CCC(C)C1(C#N)C=C(C[NH3+])C(=O)O1,1,GDB MedChem
116269,CC1(C#N)C(=O)OCC(CO)C2COC21,0,GDB MedChem
352244,C=CC(Cc1cc(NC)c([O-])s1)=NO,0,GDB MedChem
373103,C#CC12C=CC[NH+]1C(CO)CCC2,0,GDB MedChem
393487,CCC1COCC1(C(N)=O)C(C)CC(C)(C)C,0,GDB MedChem
48446,CC1=CC(C)(C)OC2OC(C1)C(C)C2[NH3+],0,GDB MedChem
352022,ON=C1CCC2c3cnncc3OCCC12,0,GDB MedChem
30483,C=CCC1C(O)C1Nc1cccs1,0,GDB MedChem
375594,ON=c1cc(C2CCO2)c2scc[nH]c1=2,0,GDB MedChem
141313,CC(C)N(C)C1(C#N)CC1C[NH3+],0,GDB MedChem
152106,COC(CO)CN1CC(=O)C=C1C#N,1,GDB MedChem
39167,C#CC1(C)NC(=O)C1C#N,0,GDB MedChem
365003,Cc1ccn(C)c1CC1(C)CC1,1,GDB MedChem
368368,COC(CCc1ccccc1)(C(C)C)C(C)C,1,GDB MedChem
1175,CC1=CC2(C[NH2+]C2)OCC(O)C1,0,GDB MedChem
14798,CC(C[NH3+])CC1CC2CC(C)(C(C)C)CC2C1,0,GDB MedChem
138665,CCC1=CC2=C(C#N)C(C)CCC=CC2C1,0,GDB MedChem
187315,CCC(C)CC(C)([NH3+])C(CC)(CO)C(C)CC,0,GDB MedChem
2013,CC[NH+]=c1[n-]nccc1CC[NH3+],0,GDB MedChem
219865,C#CCOCC1=CC=CC(C2CC2)[NH2+]C1,0,GDB MedChem
60230,CCC=CC1COC(C(C)=N[O-])OC1,0,GDB MedChem
320033,NC1=CC(=O)C2C[NH2+]C(C3COCO3)C1C2,0,GDB MedChem
13743,CC1(C)[NH2+]CCC[NH2+]C1CCO,0,GDB MedChem
136367,CCC(C1C=CCC1)C1CC2C=CC[NH+]1C2,0,GDB MedChem
310736,[NH3+]C1CC1c1ncc(NCCO)cn1,0,GDB MedChem
226728,C#CC(C(=O)CC)C(C)(C)O,1,GDB MedChem
186181,CC1C2C[NH2+]C(COC2)C[NH+]1CCCN,0,GDB MedChem
134119,O=S1(=O)CNC1C=C1C(O)CC2CC12,0,GDB MedChem
209327,CCC(=O)C(O)C(=O)c1cnc(N)cn1,1,GDB MedChem
130677,CCCOCC(C)(C)C([NH+]=C(N)N)C(N)C[NH3+],0,GDB MedChem
102871,OCC1CC1c1ncc(C2C=CCCC2)s1,0,GDB MedChem
82445,CNCC1=C(C)C(=O)OC2C([NH3+])C2C1[NH3+],0,GDB MedChem
296689,NC1C([NH3+])CC1C1(C[NH3+])COCCO1,0,GDB MedChem
263003,[NH3+]C1CC(O)C(O)CC1O,0,GDB MedChem
62668,CC(C[NH3+])C1C=CC(C(=O)[O-])[NH2+]C1,0,GDB MedChem
4450,CC1CC=C(c2nc(=N)occ2C[NH3+])C[NH2+]1,0,GDB MedChem
336559,NC1=CC(=O)CCC(C2CC2O)=C1,0,GDB MedChem
227823,C=C1CN(C)C(=[NH2+])N2CC(O)C=C12,0,GDB MedChem
175063,CC[NH+](C)C1CCCc2c(ccn2C)C1C,0,GDB MedChem
240353,CCCN(CCCOCC)C(=[NH2+])N(C)CCO,0,GDB MedChem
220539,CS(=O)(=O)C=CC1CC(=O)CC(=O)C1,1,GDB MedChem
28810,[NH3+]CC1OC(=O)CC2CC([NH3+])CN2C1=O,0,GDB MedChem
155974,C=C1CC[NH2+]C2C=C(C1)C(=NO)CC2,0,GDB MedChem
211636,Nc1c(O)c(=[NH2+])c2c(=O)c(=O)c(O)cc1=2,0,GDB MedChem
355227,C=C(CO)C1=CCCC(C)=C1CC,0,GDB MedChem
136985,C=C1CC(C(C)(C)N(C=O)CC)C1,1,GDB MedChem
41230,Cc1cnc2c(c1O)COC2,1,GDB MedChem
559,C=CC1NC2CC(OC2=O)C1C[NH3+],0,GDB MedChem
220878,C=C(COCC)n1cnn(C)c1=O,0,GDB MedChem
384633,CC1C(O)C(=O)CNC1C(C)(C)O,0,GDB MedChem
140455,CCC(=O)C1C(C(C)=NO)C(=O)C(=O)N1C,0,GDB MedChem
11939,C#CC1C(OC)C([NH3+])C1(O)CO,0,GDB MedChem
183004,CN=c1ocnc(C)c1CN(C)C=O,0,GDB MedChem
75787,CC1=CC2C[NH2+]C2C(CO)C=CC1,0,GDB MedChem
53515,C[NH2+]CCC(O)C1CC(C(=O)[O-])C1,0,GDB MedChem
336268,CCN1CCCNC(=O)N2CCC2C1=O,1,GDB MedChem
336521,O=C1CC(O)CNC(=O)C12CC2,1,GDB MedChem
256553,CC1(O)CCCC(O)C1CC[NH3+],0,GDB MedChem
363359,C=C1CC=C(CO)C(=CNC)C1=NO,1,GDB MedChem
131812,N=c1nc(C[NH3+])cc(CC2CC[NH2+]2)s1,0,GDB MedChem
37951,CC1C(C#N)C1C[NH2+]CCCNC(N)=[NH2+],0,GDB MedChem
350614,Nc1cc2c(o1)CCC=CCCC2=O,1,GDB MedChem
131179,CCC1C(C)=CC(=O)CC[NH+]=C(N)N1C,0,GDB MedChem
122582,CCCOc1c[nH]c(C(=O)CCC)c1C(C)C,1,GDB MedChem
8008,CC12C=CC(C3C=CC[NH2+]3)C1C[NH2+]C2,0,GDB MedChem
44051,O=C1CCC2(CC2)C2C(O)C[NH2+]C12,0,GDB MedChem
344045,C#CC=C(C(=O)[O-])C1C=CCC1[NH3+],1,GDB MedChem
262443,C#CC([NH3+])C1[NH2+]CC1C[NH2+]C,0,GDB MedChem
219264,CCOCC(C#N)C(CC)OC(C)CC(C)=O,0,GDB MedChem
138437,CC12CCCC(O)C1CC2O,1,GDB MedChem
102526,CCCCc1sc(=[NH2+])cc(O)c1C(C)C,0,GDB MedChem
257909,CC#CC=C(C)c1coccc1=[NH2+],0,GDB MedChem
223587,CC1[NH+]2CCCCC3CCCC1(C)C32,0,GDB MedChem
279509,[NH3+]CC1C=C2CCC(O)C2[NH2+]1,0,GDB MedChem
345088,CCC[NH+]1CC2CC(C)CC2C1,0,GDB MedChem
335648,[NH3+]C1C(O)C2=CC(C#CCO)=CC21,0,GDB MedChem
163957,C#CCCC([NH2+]C)C1=CNCS(=O)(=O)C1=O,0,GDB MedChem
10376,CC#CC1=CCCC23CC2COCC3C1,0,GDB MedChem
306560,CCCCC1CCC(C)(COC)C1CC(C)C,0,GDB MedChem
398266,CCC1CC2C(CC[NH2+]1)C2C(C)C,0,GDB MedChem
395233,CCC(=O)C(=O)OC1(C)COC1,1,GDB MedChem
52332,CC1(C)C[NH2+]CC1C(CO)NCC[NH3+],0,GDB MedChem
211861,C#CC1CC2C=CC(C)=CC[NH+]12,0,GDB MedChem
47903,N#CC#CCCOC1C=CCC12CC2,1,GDB MedChem
132917,CCCCC1C2C(C)CC(=O)C1(C)C[NH+]2CC,0,GDB MedChem
44278,C#CC1CC(C(C)CCc2ccsc2)C1,1,GDB MedChem
358078,C#CC([NH2+]C)C1(C)CC([NH2+]C2CC2)C1,0,GDB MedChem
297199,[NH3+]C1C=CC=CNC(=O)C2(C[NH2+]C2)C1,0,GDB MedChem
71339,O=C1C=C2NCCCC2=CC=C2CC[NH2+]C12,0,GDB MedChem
29309,C[NH2+]C1C(C[NH3+])=CC(C#N)=CCC1(C)C,0,GDB MedChem
37873,C=CCOC1C(O)C1(N)C(O)C#N,0,GDB MedChem
161590,CCCC(COCC)CC(CC)NC(=[NH2+])NC,0,GDB MedChem
264999,CC1CC2COCOCC(=NO)C(C[NH2+]1)C2,0,GDB MedChem
145409,CC1=Cc2sc([O-])nc(=O)c2CCCC=C1,0,GDB MedChem
165578,N#CC(OCC(N)=O)C1=CC[NH2+]C1,0,GDB MedChem
39373,[NH3+]CC[NH2+]C1(C2CCCC2)CC(O)C1,0,GDB MedChem
62268,C#CCC1=CC2C(C)CCC1[NH2+]CC2C,0,GDB MedChem
281328,CC1=C(C[NH3+])CCC2=CC=CCC=C2C=C1,0,GDB MedChem
1153,C1#CC2C=CC=CCC2=CC=CC=C1,0,GDB MedChem
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178506,CC(Cc1cn[nH]n1)C(C)(C)C,1,GDB MedChem
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29288,CC(CC1OCC([NH3+])C1O)C(=O)[O-],0,GDB MedChem
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114240,C=CC(C=C)c1c[nH]nc1C(=C)C,0,GDB MedChem
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10256,CCCC1CC(C)=CC1CNC=O,1,GDB MedChem
133929,C[NH2+]CCC(C)(COC)OCCC(C)=NO,0,GDB MedChem
118754,[NH3+]CC1CC1(NC=O)C1CCC(=O)N1,0,GDB MedChem
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90721,CCCC1(C(C[NH2+]C)OC)C([NH3+])C1O,0,GDB MedChem
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10536,C=C(C)C12CC(=O)C1C[NH+]=C(N)N2,0,GDB MedChem
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58139,CC1OC(=O)C(CC2([NH3+])CCC2)C1C,0,GDB MedChem
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88914,NC(N)=[NH+]C1C=CC2C(O)CC2OC1,0,GDB MedChem
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86357,Cc1ncc2c(c1O)CC=CC1COC21,0,GDB MedChem
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142671,CNc1c(C)ncc(OC(C)(CO)CO)c1C,1,GDB MedChem
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373573,CC1(C)CNC(=O)N1,1,GDB MedChem
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212703,Cc1ccc2oc(=N)oc2c1N,0,GDB MedChem
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56304,O=C([O-])C1C=CC=CC2(COCOC2)[NH2+]1,0,GDB MedChem
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302158,N#CC1OC(C=N[O-])C=CC2(COC2)C1=O,0,GDB MedChem
344480,C[NH2+]C1C=CC2C=CC3CC23C1,0,GDB MedChem
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375262,C#CCC1(OC)CC[NH+](C)C1,0,GDB MedChem
357267,CC(C)CC1CC(C)C(=O)OCc2nocc21,0,GDB MedChem
212077,OCC1CCCC=CC1CC1(O)CCC1,0,GDB MedChem
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137593,CCC(Cc1scc2c1CCCC2(C)C)OC,1,GDB MedChem
235731,CCC12COC(C1=O)C(O)C2O,0,GDB MedChem
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14397,Cc1cc(CC2OCC3C(C)OCC23)sc1[O-],0,GDB MedChem
306928,CC(O)C(C(O)CO)C(C#N)CC(=O)[O-],0,GDB MedChem
223003,C[NH2+]CC1=CN2C=CCNC2=[NH+]C1,0,GDB MedChem
57058,[O-]c1csnc1C#CC1CC1,0,GDB MedChem
90250,NC(=O)C#CC1CC12CCO2,0,GDB MedChem
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235756,C[NH2+]C1CCC2(CC[NH2+]2)C1,0,GDB MedChem
380514,C=CC(=C)CC(=C)c1ncsc1N,0,GDB MedChem
247074,CCC[NH+](C)C1CC=C(C)C=CC1CC,0,GDB MedChem
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51182,CC(C)CC1=CC2CC1(C)C[NH2+]2,0,GDB MedChem
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51592,N#CCCC1OCC(N)=C1C(=O)[O-],0,GDB MedChem
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246082,CC#CCC1COCCCC(C)(C)C1,0,GDB MedChem
245931,CCC12CC(C)=CC=C(C)C1COCO2,0,GDB MedChem
113418,C#CCC(O)C(C)C(=O)c1ccn(CC)c1C,1,GDB MedChem
137555,C#CCC(C)(NCC[NH3+])C1(C)OCCCCO1,0,GDB MedChem
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53528,CC1=C(CC#CCO)C(C[NH3+])OC1C[NH3+],0,GDB MedChem
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48869,CC1CC(C23C=CC(C)C2C3C)C1,0,GDB MedChem
390370,NC(=O)OCC1(c2ccsn2)CC1,1,GDB MedChem
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139252,CC(=O)C1=CC#CC(=O)NC=CCCCC1,0,GDB MedChem
116859,CC(C)([NH3+])C(C[NH3+])OCC(O)C#N,0,GDB MedChem
9139,CCC(O)(CO)C(COC)OC,1,GDB MedChem
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192036,C=C1CC(=NO)C=C1CCC[NH+](C)C,0,GDB MedChem
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132045,CNc1csc(C(CN)[NH2+]C)c1,0,GDB MedChem
123705,C=CC1CC(C)[NH2+]C2C=CC=CC12,0,GDB MedChem
86410,C#CC1(C[NH3+])CC(O)CC1O,0,GDB MedChem
367214,C#CCC(C)([NH2+]CC)C1CC1CC,0,GDB MedChem
222945,CCC1=CC(C)(C)C2CC[NH+]2CC=C1,0,GDB MedChem
231991,CCC1=CC(O)CC(C)=CC2=CCC(C2)C1,0,GDB MedChem
109969,CC12C=CCCC(C#N)C1C2[NH3+],0,GDB MedChem
187539,C#CC(CC)(C(C)[NH3+])C(CC)C1(C)CCC[NH2+]1,0,GDB MedChem
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66,CCC[NH+](C)C1(CCC(C)[NH2+]C)CC1,0,GDB MedChem
293249,Cc1coc(-c2nc(C)c3c[nH]cc3n2)c1C,0,GDB MedChem
123594,C=C(CCC(N)=O)C1(C)C=CC=C1,1,GDB MedChem
19804,O=C1CC=C(CO)CC(=O)C(=O)N1,1,GDB MedChem
292407,C#CC1CCCCC1(C(O)CC)C(C)(C)C#N,0,GDB MedChem
121871,C1=CCC=CC(C[NH+]2CCC23CC=CC3)=C1,0,GDB MedChem
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58136,CC#CC1(c2cccnc2)CC=CC1,1,GDB MedChem
359750,CC(=O)C1CCOC2CC(=O)C=C2CC1C,0,GDB MedChem
204768,C#CC(CC1C=CCO1)n1ncnn1,0,GDB MedChem
115842,[NH3+]C1CN(S(=O)(=O)C2=CNCCC=C2)C1,0,GDB MedChem
278595,CC1=CC(N)(C(N)=O)C(C[NH3+])C1,0,GDB MedChem
365363,CC1([NH+]2CCC3CC3C2)CC1,0,GDB MedChem
161585,CC#CCNC(CO)C1(C[NH2+]CC)CC1,0,GDB MedChem
13644,COC1CC(C)=CCc2c[nH]cc2O1,0,GDB MedChem
185834,CN(C)c1scc(CCOC2CC2)c1N,0,GDB MedChem
306495,CC(CC1([NH3+])CC1)C1=CC[NH2+]C1C,0,GDB MedChem
384919,CC1=C(C)C(C(F)(F)F)OC1CC[NH3+],0,GDB MedChem
185820,COC1(C(C)(C)C(C)C[NH3+])CC1,0,GDB MedChem
375263,CCCC(C#N)C1COCC(OC)C(=O)CN1,0,GDB MedChem
142129,CC1=C2CCC=CCCC(=O)N(C1)C2,1,GDB MedChem
169757,C#Cc1c(NCCC[NH3+])coc1CC[NH3+],0,GDB MedChem
366669,CC1=CC(C)(CC(C)C)OC1C1C[NH2+]C1C,0,GDB MedChem
294828,CC(C)[NH2+]CC1C(=O)CC1C,0,GDB MedChem
14910,COCC(C#N)C(N)C([NH3+])CCO,0,GDB MedChem
394800,COC1C[NH2+]CC(C([NH3+])C(C)O)OC(C)(C)C1,0,GDB MedChem
211536,C#CCC(CCCO)C[NH+](C)C,0,GDB MedChem
86368,CNC(=O)C1C([NH3+])C2CC2N1C,0,GDB MedChem
353663,[NH3+]C1CC#CCCc2cnccc2C1O,0,GDB MedChem
47019,C#CC1CC2[NH2+]C(COC)C1C2=O,0,GDB MedChem
147514,C[NH+]=C1NC=C(C)C(CC2C[NH2+]C2C)N1,0,GDB MedChem
290412,Cc1[nH]ccc1C[NH2+]C1CC1,0,GDB MedChem
185806,CCCOC(=O)Cc1cc2ccn3c2n1CC3,1,GDB MedChem
303550,COC1CN(C=O)CC1=O,1,GDB MedChem
384000,CC(CCOCC[NH3+])C(C)n1nccn1,0,GDB MedChem
178998,CC(CC[NH+](C)C)C1([NH3+])C(O)C1OC(N)=O,0,GDB MedChem
160218,Cc1c(C([NH3+])C(C)C[NH3+])ccc2c1CCN2,0,GDB MedChem
264082,COc1cc(=O)c2c(=N)c(=NCC#N)ncc1=2,0,GDB MedChem
105183,CCC(C[NH3+])C1COC(CCOC)C1,0,GDB MedChem
251643,C#CC(=NO)C1=C2CCC2CC(=O)N1,0,GDB MedChem
267445,N#CCC1(C(O)CC(N)=O)CC1O,0,GDB MedChem
238927,COC12C=CCC1=C(CO)CCO2,0,GDB MedChem
238443,[NH3+]CCC1C=CC=CC=C1,0,GDB MedChem
362439,CC1OC(=O)CC1C1CC(=O)N1,0,GDB MedChem
295302,CCC12CC1CCC(C)C2C,1,GDB MedChem
318461,CC1NC(C#N)(C2C=CC(=O)N2)C1N,0,GDB MedChem
183533,CC(O)COc1cc(=[NH2+])ccs1,0,GDB MedChem
267752,C[NH2+]CC(=O)n1cc2nccnc2c1,0,GDB MedChem
369809,Cc1nc2cc(c1N)C[NH2+]CC(C)CC(=O)C2,0,GDB MedChem
284985,CCC1COCC2NC(COC)C[NH+]1CC2O,0,GDB MedChem
66428,C#CC1(CC(C)CC(C)C)CC=CC1,0,GDB MedChem
6977,O=C1C#CC2C=C(C=CN1)CCCC2,0,GDB MedChem
8849,CCCC1(C)C(CC)C2CCOC2C[NH+]1C,0,GDB MedChem
39381,CCC1=CC(CO)C(C)=C(C)C(CC)C1,0,GDB MedChem
223390,CC(C)(C(C#CC[NH3+])CCO)C(F)(F)F,0,GDB MedChem
17201,CNc1c(F)cc(C)cc1N(C)c1ccc[nH]1,1,GDB MedChem
280974,C#Cc1ncoc1C(=O)C1CC1,1,GDB MedChem
309929,CC1CC2([NH3+])C#CC=CC[NH+]1CCC2,0,GDB MedChem
123721,C[NH2+]C1(C(=O)[O-])C=C(C#N)CC1NC=O,0,GDB MedChem
235757,C=CC1C(=C)NC(=O)OCCC1O,0,GDB MedChem
51161,CC[NH2+]C1C(C)C(=NO)C1O,0,GDB MedChem
282378,C#CC1=CC2(C)[NH2+]CC=C2C1CC,0,GDB MedChem
56411,CC=CCC1CC1C1OCC1CC,0,GDB MedChem
267294,CC(=O)C1=CCCCCC(C)=C1,1,GDB MedChem
194081,C[NH2+]C1(C2=CC3C=CC=CC=C3C2C)CC1,0,GDB MedChem
78043,CC[NH2+]CC12CC3=C(COC(C)C3O)C1C2,0,GDB MedChem
125378,CC1=C(C)C=C(C#N)C(C)(C)C=CC=C1,0,GDB MedChem
252364,C#CC(C)C1=CCC2([NH3+])CC12,0,GDB MedChem
299821,C#CCC([NH3+])CC(O)C1(C)CC1O,0,GDB MedChem
198601,CCC1C=CC(=NO)C2(C)C([NH2+]C1)C2OC,0,GDB MedChem
92441,Oc1occc1NC1C[NH2+]C1,0,GDB MedChem
52389,CCC1[NH+]=C(N)NCC12CC(=O)C2,0,GDB MedChem
150839,[NH3+]CC12CC[NH2+]CCCC1C2,0,GDB MedChem
251139,C=CC(C=C)=C(CC)CC(C)C#N,0,GDB MedChem
93387,C[NH+]1CC(C=CCCC2C[NH2+]C2)C1,0,GDB MedChem
383534,CC1C2CCCC(O)CC1OC2,0,GDB MedChem
13585,CC1(C(=O)C(CO)=N[O-])CC1,0,GDB MedChem
32882,CCC1C(C)C(=O)C1(CC)C(=O)CN(C)C,0,GDB MedChem
285199,CC1CCC(C(C)[NH3+])O1,0,GDB MedChem
76674,CC(C)([NH3+])C(C)(C)CCCC#CC1CC1,0,GDB MedChem
302829,CC1OCC2C1=CC(C1CC([NH3+])C1)OC2C,0,GDB MedChem
52102,C=C1C=CCC(C)[NH2+]C(C)(C[NH3+])C1,0,GDB MedChem
129064,CCC1C(O)CC2C(C(C)C)C(=O)N12,1,GDB MedChem
247882,CC1=CCCC2(C)[NH2+]CC=CCC(C)=C12,0,GDB MedChem
96403,CC1CNC2=[NH+]C(C#N)CCN21,0,GDB MedChem
285500,O=C1C=C2NCC=CC3CC[NH+]3C2CC1,0,GDB MedChem
154573,ON=C1CC2COCC1C2O,0,GDB MedChem
146221,C#Cc1c(C#N)nc(=[NH2+])[n-]c1OCC1CC1,1,GDB MedChem
117297,C#CC1=CC(C)(C)C=C(C)N(C)C(=O)C1=O,0,GDB MedChem
327009,OC1CCC2=C3CCOCOC3C(O)C2C1,0,GDB MedChem
228677,O=c1sccc(O)c1C1CCO1,0,GDB MedChem
302895,C#CC1C2CC2N(C)C(C)CS1(=O)=O,0,GDB MedChem
52383,CC(C)[NH2+]C(C)C(C)(C)CCO,0,GDB MedChem
122521,CC#CC[NH+]1CCC(C)=C(CCCC)C1,0,GDB MedChem
51211,C#CCC1C2CC[NH2+]C1C(C)(CC(C)=O)CC2,0,GDB MedChem
228124,CCC1(C)C=C(C)CCC#CC[NH2+]C1,0,GDB MedChem
109059,CC(C)(O)C1(C)C=C(C2CCCC2=O)CO1,0,GDB MedChem
253109,COC1CC([NH3+])C(C([NH3+])(CO)CCO)O1,0,GDB MedChem
146227,CC([NH3+])CCc1cncnc1,0,GDB MedChem
376869,COCC[NH2+]CCCC[NH2+]CC(N)CO,0,GDB MedChem
262891,C[NH2+]CC(N)C1OCCC1(C)C,0,GDB MedChem
160196,CC1=CC(C)C2(C)C(=O)CC=C12,1,GDB MedChem
27479,COC1CC(C(=O)[O-])CC([NH3+])CC1[NH3+],0,GDB MedChem
178122,OCC1CC1CC1=CC2CC2C1,1,GDB MedChem
18501,CC1CC2(CO)CC(C)C12,0,GDB MedChem
147471,C1=CC2(C=CC3=CCC=C13)CCO2,0,GDB MedChem
156403,C#CC1CCCCc2cc(C)[nH+]c(CC)c2C1,0,GDB MedChem
153515,CC1=CCCCCNc2c[nH]cc2C1CO,0,GDB MedChem
49823,CC1=CC23CCCC(C1)C2CC3C,0,GDB MedChem
256990,C#CC(C)(CC(CC)NC=O)C[NH+](C)C(C)C,0,GDB MedChem
93623,CC(C)CCn1cccc1C(O)(C[NH3+])CC#N,0,GDB MedChem
301899,CC1(C(C)(C)c2ncco2)CC1,1,GDB MedChem
35846,CCC[NH+]1CCC1C(C)(C)CC,0,GDB MedChem
380658,CCc1cc2c(CC)c(C)cc(C)n2c1N,0,GDB MedChem
217637,C#Cc1cc(C)cc(C(=O)CNC(C)=O)n1,1,GDB MedChem
169981,CCCC(=O)N(C)CC(C)C,1,GDB MedChem
182794,C[NH2+]C1(C(C)COC)CC(C)COC1C(C)=O,0,GDB MedChem
245609,CC1=C(CC(C)C)C2(CN(C)C2)OC1,0,GDB MedChem
339608,CC1=CC2=CCC(CO)C2=CC(CCO)=C1,0,GDB MedChem
263658,CC1=CC[NH2+]C(CCO)C(N)C1,0,GDB MedChem
156820,CCC12COC(C[NH2+]C)CC1OC2C,0,GDB MedChem
76305,CCc1cccc2c1N(C)C1C2CCC1(C)C,1,GDB MedChem
113984,O=C([O-])C#CC1C[NH2+]C2CC12,0,GDB MedChem
130744,CC(O)C(=N[O-])C1(CO)C=CC[NH2+]1,0,GDB MedChem
239584,O=C1CCC1C(CC1CCCC1=NO)=NO,1,GDB MedChem
226734,C#CC(=O)C(C)C[NH+](CC(C)C)CC1CC1,1,GDB MedChem
186219,[NH3+]C1C2OCC=CC3=CCCC(=CC12O)C3,0,GDB MedChem
43403,O=C1CC2COC(C=C1c1ccno1)O2,0,GDB MedChem
516,CCCC1=CC2OCC2C1,0,GDB MedChem
281718,CC1=C(C#CC(C)C)C=CC(C)(C)OC1,0,GDB MedChem
293278,O=C1C=CC#CC2(CC2)c2ccc(o2)C=C1,0,GDB MedChem
143272,CC1CC2=CC(=O)OC(C)CC#CC2(C)C1,0,GDB MedChem
135701,CCC[NH+](C(CC)CC)C1CC1,0,GDB MedChem
159111,CC(C)=CC(C=C(C)C)=C(C)C#N,1,GDB MedChem
58229,CC1[NH2+]C(CC2CNC(N)=[NH+]2)C1N,0,GDB MedChem
275224,CNC(=O)C1CC[NH2+]C(C)CCCCO1,0,GDB MedChem
58843,CCCc1cc(O)cnc1C(C)(O)C(C)(C)O,1,GDB MedChem
392890,CN=C1c2ccc(o2)C=CCC=CN1C=O,0,GDB MedChem
52925,CC(C)C1=CCc2ncc3c(c2C1)COC3,0,GDB MedChem
176043,COCCC1CC2CCCC(C(C)C#N)(C2)C1,0,GDB MedChem
139413,CC(N)=CC(=O)Oc1ocnc1C,1,GDB MedChem
153876,C#CC1CC(CC)(CC(C)C)C(C#N)CC1C,0,GDB MedChem
281490,CC(C)C1(S(=O)(=O)CO)CC=CC1,0,GDB MedChem
344055,CC1OCCC2OC1CC2=O,1,GDB MedChem
187395,[NH3+]CC1=C2C=CCC(O)C2CC1,0,GDB MedChem
382361,CC(C)(C)CC1=C(C#N)C=CCC(=O)C=C1,0,GDB MedChem
226455,O=C([O-])CC1=CCOCCC1,1,GDB MedChem
55847,C#CC(C)(NCC[NH2+]CC)C(CO)=N[O-],0,GDB MedChem
132808,C#CC1=CC(C)C([NH2+]CCC)C(C)(CO)C1,0,GDB MedChem
214955,COCC1=CC2(CC2)COC1C#N,0,GDB MedChem
36548,CCOCC1=C(C)CCOCC1=O,0,GDB MedChem
226359,C#CCC1(CC(C)(C)C)CCCOC1C(C)C,0,GDB MedChem
220597,Cc1cn(C(N)=[NH2+])cc1C[NH3+],0,GDB MedChem
195628,CN(C)CS(=O)(=O)C1=Cc2c(coc2[O-])CC1,0,GDB MedChem
10322,CCC1C2OCC3C2COC31,0,GDB MedChem
257359,CC1=C(C#N)C(CC2CC2)C=CC(O)C1O,0,GDB MedChem
352030,C#CC1(OCC)C(C#N)C1CCO,0,GDB MedChem
37867,CCC1(OC)CC1C([NH3+])C1CCCCC1,0,GDB MedChem
232322,CCC1C2C=CCC=CC3=C2C1(O)CC3,0,GDB MedChem
286948,C=C1NC(=[NH2+])NC(C)(C)C(C)C1O,0,GDB MedChem
165912,CC1C#CC=CC(CO)=C2C=CCC2C1,0,GDB MedChem
122752,C#CCCC(c1coc(N)c1)C(CC)CC#N,0,GDB MedChem
396057,C[NH2+]C(C)(C)C1=CC(=O)c2ncccc21,0,GDB MedChem
271643,C#CC1C(C(CC)CO)[NH+](CC)CC1(O)CC,0,GDB MedChem
217826,Cc1nocc1-c1cc[nH]c1,1,GDB MedChem
300608,C#CCOc1coc(C2(C)CC2)c1O,0,GDB MedChem
63292,CCCC1([NH3+])CC=CC2CC(NC(C)=O)C21,0,GDB MedChem
50168,CC(C(N)=O)c1cccc(=N)o1,0,GDB MedChem
314314,CC(C)(C1CCCC1)C1(C)CC2OCCC1O2,0,GDB MedChem
204709,C#CC1CC=C(C)C1(C)[NH3+],0,GDB MedChem
360107,CCC(=O)OCC1CC(C#N)N(C)C1,1,GDB MedChem
169745,[NH3+]C(C=CCC1CCC1O)CCO,0,GDB MedChem
188386,CCCCC1CCC([NH2+]C(C)C)CC1,0,GDB MedChem
42206,CN=c1occ(-c2sccc2C#N)o1,0,GDB MedChem
151505,CC(C)Nc1occ(C(=O)CO)c1N,1,GDB MedChem
366991,O=C1C=CC2C=CCC2N1,1,GDB MedChem
129622,CCC1CCCC(c2c[nH]c(C)c2)C(CC)C1,0,GDB MedChem
104130,O=CNC1CCC2C(CO)=CCOC2C1,0,GDB MedChem
15065,CC([NH3+])CC=CC1=CC(C#N)=CC1,0,GDB MedChem
36651,CC1=CC2C([NH3+])C2C(C)CCC1,0,GDB MedChem
115834,CC(O)C(C[NH3+])OC1CC1CO,0,GDB MedChem
187558,C#CCc1ccc(CC(O)CC(O)C#N)[nH]1,0,GDB MedChem
381340,C#CCCCC(O)C(=O)N1CCCC1,1,GDB MedChem
232287,[O-]c1csnc1C#CC[NH+]1CCC2CCC21,0,GDB MedChem
62313,C#CC1C(C)=C2CC3=C(C[NH2+]C3)CC2C1C,0,GDB MedChem
373581,C#CC1C(=O)C(C)CCC(=O)C2[NH2+]CC=C12,0,GDB MedChem
56410,CC[NH2+]CCC1C2CC=CC21[NH2+]CC,0,GDB MedChem
39370,CCC1=C2CCC2C(C)OC1,0,GDB MedChem
301090,CCc1c(OC)c(=[NH2+])c2scnn(C)c1=2,0,GDB MedChem
242463,NC(=O)CC1CC1[NH2+]CC1CC1CO,0,GDB MedChem
380543,CCCOC1CCC(c2cn[nH]c2)[NH+](C)C1,0,GDB MedChem
190645,C#CC(COc1c[nH]cc1C)[NH2+]C,0,GDB MedChem
369919,C#CC1CC2(O)CC1CC2C,1,GDB MedChem
56311,C[NH+](C)Cc1cc(=N)c(C#N)co1,0,GDB MedChem
314337,CC[NH+]1CCCC(C(CC)(C[NH3+])CC(C)C)C1,0,GDB MedChem
4449,CC1=C(C#CC(C#N)=N[O-])CNC2C[NH2+]C12,0,GDB MedChem
178526,C[NH2+]CC1C=CC(C#N)C(CO)C1O,0,GDB MedChem
146382,CC1CC(C#N)=CC(CO)[NH2+]1,0,GDB MedChem
226343,CC#CCC1(O)CCC2CC=CCC21,1,GDB MedChem
255645,COCC(=O)[C-](C#N)C(C)=O,0,GDB MedChem
198436,C#Cc1onc(C(=O)[O-])c1C(=O)OCC,1,GDB MedChem
38258,C#CC1=CC2CCCC1C21C=CCC[NH2+]1,0,GDB MedChem
178993,CC1=CCCC=CC(C)[NH2+]C1,0,GDB MedChem
123327,C#CCC(c1cc2ccsc2s1)C1CC1,1,GDB MedChem
56290,C#CCCC1CC2Cc3coc(C)c3CC12,0,GDB MedChem
92223,COC1CC(C)(C#N)CCC1=O,1,GDB MedChem
195603,C#CC1(C(C)CS(C)(=O)=O)OCC(=O)CO1,1,GDB MedChem
143589,Cc1ccccc1C([NH3+])C1(CC[NH3+])CC1,0,GDB MedChem
125308,CC1NC(C[NH3+])C(O)(C#N)C=CC1[NH3+],0,GDB MedChem
59518,Cc1cc(N)c(=O)n2c1CC(CC(N)=O)CC2,0,GDB MedChem
287605,C#CC1(O)C([NH3+])CC(O)C1O,0,GDB MedChem
297992,O=C1CCC2CC=CC3CC132,0,GDB MedChem
273714,CC(=O)CN1CC=CC(=O)C1,1,GDB MedChem
57634,C#CC(=NO)C1(C)CC(C)O1,1,GDB MedChem
13257,CC1CC2C(O)COCC12O,0,GDB MedChem
187780,C#CC1=CCC(C(O)c2cnoc2)=CC=C1,0,GDB MedChem
230880,O=C1C2[NH2+]CCOCC2C2=CCCCN12,0,GDB MedChem
285429,C#CC1(C)OCOC1CC,1,GDB MedChem
123361,[NH3+]CC12CC=C(C3CC3)CC1OCC2,0,GDB MedChem
249005,N#CC1CC1(N)C(=CC(=O)[O-])C[NH3+],0,GDB MedChem
39380,C=C1C2CC[NH2+]CC3COCC1C32,0,GDB MedChem
67163,CC(=O)C(=O)C1C(O)CC(=O)C1(C)O,1,GDB MedChem
348403,CC1=C(CO)C(CC2CC2)C[NH2+]C1C,0,GDB MedChem
167024,COc1cc2c(cn1)C(C1CCC1)CC2,1,GDB MedChem
285447,CCCOC(C)(CO)C(C)=O,1,GDB MedChem
371904,C#CC1=CC(COC(=O)CC(C)C)C[NH2+]C1,0,GDB MedChem
273751,CC1C[NH+](C)CC12CC2C,0,GDB MedChem
198989,C#CC(=O)C1C=C(C2(O)CC(=O)C2)CC1,0,GDB MedChem
354889,O=C1C[NH2+]CC=C2C(CO)CC12,0,GDB MedChem
11962,C[NH2+]CC1CCC(NC(N)=[NH2+])C1C(C)=O,0,GDB MedChem
365031,C#CCC1(CCC(C)(C)C)CC(CC)C1[NH3+],0,GDB MedChem
371031,C[NH2+]C(CO)C1(C)NCC1=O,0,GDB MedChem
318857,CNc1c(C)cc(=O)oc1COC(=O)COC,0,GDB MedChem
214964,CC(C(C#N)CO)N(C)c1ccns1,0,GDB MedChem
278651,C#CC12CCC1=C(C(=C)C)COC2,0,GDB MedChem
125138,CCC([NH3+])C#CC1C(C)C1C,0,GDB MedChem
123067,C#CC1=CC(C)(C2CC2C)C(C)[NH2+]C1,0,GDB MedChem
75792,CCNC(NCc1cscn1)=[NH+]C,0,GDB MedChem
192130,CC(C1C=CCCC=C1)C1(C[NH3+])C[NH2+]C1,0,GDB MedChem
361268,COCCCOc1cn2cc(C)cc2cc1C,1,GDB MedChem
13712,CC1[NH2+]CC=C2C1C=CC2C(C)C(N)=O,0,GDB MedChem
80884,CC#CC1OC(=O)C2(CCC)C[NH2+]CC1C2,0,GDB MedChem
175617,CCC1(C)[NH2+]CC1CC(C)OC(=O)C#N,0,GDB MedChem
111848,[NH3+]C1C=CCC(C2CC2)=CC1,0,GDB MedChem
9452,CCC1C=CC2([NH3+])CCC(=CC1C)C2,0,GDB MedChem
63549,Cc1nccc(C[NH2+]CC(C)C2C[NH2+]C2)n1,0,GDB MedChem
24182,COCC([NH3+])CC(C)C1CC1(C)C,0,GDB MedChem
52653,CC#CC1(CC)C=C(C)C=CNC1=O,0,GDB MedChem
346448,Cc1sc(CCO)c([O-])c1C#N,0,GDB MedChem
93592,CC12C(=O)CC(=O)C(CC#N)C1C2O,0,GDB MedChem
78448,CCC1C2[NH2+]C(CCC=C2C)C1C(C)(C)C,0,GDB MedChem
82733,CCCCC(=O)Cc1cn(C=O)cc1C(C)C,1,GDB MedChem
324374,CN1C(=O)C[NH2+]CC1C1CC[NH2+]C1,0,GDB MedChem
370997,C#CC1C=C(CCCO)CCC=C1C,0,GDB MedChem
138487,CC[NH+]1CC2C1CCC(C)C2(C)CC,0,GDB MedChem
71865,CCCCc1cc(CCC2CC2)n(C)n1,1,GDB MedChem
277467,C#CC1(C(C)C#N)CC=CC1,1,GDB MedChem
189561,C#CC1=CC(CC)(CC)COC1C[NH3+],0,GDB MedChem
16182,CCC1=CCCC([NH3+])CCNC2C([NH3+])C12,0,GDB MedChem
155980,C#CC(CC1CC2(CC)C[NH2+]CC2O1)C(C)C,0,GDB MedChem
336939,CCC(O)C1C(=NO)C[NH2+]CC12CC(CO)O2,0,GDB MedChem
325964,CCC1Nc2ccc(COC)cc2CC1OC,0,GDB MedChem
294409,C#CS(=O)(=O)NC(CC)C1(C#N)CN(C)C1,0,GDB MedChem
192109,C#CC1(C(O)C(=O)NC)CC2CCCC1[NH+]2C,0,GDB MedChem
245452,C#CC1CC(C)Cc2ncccc2CC1C[NH3+],0,GDB MedChem
226634,C#CCOc1cc(N)sc1C,1,GDB MedChem
224910,C#Cc1c(O)nc(CO)c(CC[NH3+])c1C,0,GDB MedChem
175056,CC1CC12CC#CC=C1C=CC(C[NH2+]2)C1,0,GDB MedChem
207112,C#CCC1(C2CC[NH2+]C2)CC[NH2+]1,0,GDB MedChem
360198,CC1CC(C)OC2CCC2O1,1,GDB MedChem
129656,CC1=CC2(CC=CCCC=CC2)C[NH2+]C1,0,GDB MedChem
256978,C=C1CCOC(C)C2CC2S(=O)(=O)N1,0,GDB MedChem
39353,C#CC1=C2CCC=C2C(C[NH3+])C1OC,0,GDB MedChem
134169,C#CCc1cccc2c1C[NH+](C)CCC2CC,0,GDB MedChem
149210,CC1OC2C1OCC2(C)C,1,GDB MedChem
187288,C#CC[NH+]1CCC2(CCC2)C1COCC,0,GDB MedChem
32968,CC1OC2CC3OC(C)(C)CC=C1C23,0,GDB MedChem
315432,CC(C[NH3+])(CO)CC1(O)CCC1CCC[NH3+],0,GDB MedChem
227831,C#CC1CCC23CC=C(C)C1C2C3,0,GDB MedChem
101850,CC#CC(C)C(C)([NH3+])C(C)(O)CCOC,0,GDB MedChem
395083,CC1CC2(CCNC(=O)C2)C1,0,GDB MedChem
51771,CCc1cc(Cc2cccc(N)c2O)n(C)n1,1,GDB MedChem
299925,CC1CC=CC1C(=O)[C-]1CCCC1=O,0,GDB MedChem
129966,CCC1CNC(=[NH+]C)NCC(C)(C)C1,0,GDB MedChem
141418,Cc1c2c(n(C)c1C)C=CC=CCC2,1,GDB MedChem
249301,NC(=O)NC1C(O)C12CCCOC2,0,GDB MedChem
360333,CCc1ncnn1C(C)C(CC)(CO)CO,0,GDB MedChem
202327,CCC(=O)C12CCC1OC2,0,GDB MedChem
307180,C#Cc1cc(=O)nc[nH]1,1,GDB MedChem
392896,COC1CCC(=O)NC(C[NH3+])CCNC1C#N,0,GDB MedChem
33396,O=C1C=CC2(CC(=O)N2)C(=O)C1,0,GDB MedChem
107124,COc1cc2c(c(F)c1F)CCC=C2,1,GDB MedChem
78177,CC(O)CC(C)(C)COC(=O)CCC1CC1,1,GDB MedChem
278652,CC1C(C#N)OC2CCC=CC21,1,GDB MedChem
280145,COC1(CCOCC(=O)[O-])CC1,1,GDB MedChem
81389,C#CCCC1(O)CCC1=NO,1,GDB MedChem
73568,CC1=CC(CO)=C(C#N)CC=C1C[NH3+],0,GDB MedChem
302134,CC1=C(C)C(C2CCC[NH2+]2)[NH2+]C1,0,GDB MedChem
206123,CNC1C(=O)OC1C1=CCC(OC)C1,0,GDB MedChem
78506,CC1=CC(C#N)C2=CCC(C)(C)[NH2+]C2CC1,0,GDB MedChem
144017,OCC1C[NH2+]C2COC2CO1,0,GDB MedChem
127369,CC1=C2CC(C=CC(C)C=C1)CC2=O,0,GDB MedChem
259811,CC1C(C(C[NH3+])c2cnon2)CCN1CC[NH3+],0,GDB MedChem
83323,Cc1ncc(C2CC2)cc1N,1,GDB MedChem
119327,COc1ccc(C(C)O)c2c1C(CC[NH3+])CN2,0,GDB MedChem
207244,CN(C)C1C([NH3+])C=CCC=C2COC1(C)C2,0,GDB MedChem
227187,C=CCC(=C)C1CC(=C)C1([NH3+])CO,0,GDB MedChem
162190,C=C(CC(N)=O)c1cnccc1C,1,GDB MedChem
207136,Cc1nc(C2(C)CCCC2)c(O)nc1N(C)C,1,GDB MedChem
350584,CC(C)NC(C#N)C(O)C1CC=CCO1,1,GDB MedChem
62662,CC(=O)CC12CCC(CC1)C2,1,GDB MedChem
41544,NCC1[NH2+]CC=CC(O)C1O,0,GDB MedChem
283564,C#CC1CC(=NO)CC(C)=CC2C(CC)C12,0,GDB MedChem
48952,CCN(C)C1(C([NH3+])C(C)O)CC1,0,GDB MedChem
106292,CN1CCCC(OCCCO)C1=O,1,GDB MedChem
155379,CC(CO)[NH2+]Cc1ncc[nH]1,0,GDB MedChem
15763,CC1=CC(C)(C)c2c1ccc(CO)c2C,1,GDB MedChem
5674,CCCC12CC1OCC2O,0,GDB MedChem
113387,CCOCC#CC1=CCOC1C,0,GDB MedChem
285874,CC1=CCC(C(C)=NO)C1,1,GDB MedChem
211686,CCC#CC1(CCC2CC2)CCCC[NH2+]C1,0,GDB MedChem
396249,C#CC(N)C12C[NH+](C)CCC1OCCC2[NH2+]C,0,GDB MedChem
23115,N#CC(C[NH3+])OC1CC1C[NH3+],0,GDB MedChem
345106,C[NH2+]CC1=CCCOCC([NH3+])C1(C)N,0,GDB MedChem
192831,CC=CN(C(N)=[NH2+])C1(C)COC1=O,0,GDB MedChem
164002,C#CC(C)(CC)n1cc2c(c1)CC=CC2,0,GDB MedChem
62287,O=C1CNC2(CC2)C1=C1CC=CCN1,0,GDB MedChem
292985,ON=C1COC2C1C[NH2+]CCC1CC12,0,GDB MedChem
246090,C#CC(C)(O)C1(O)CC(=O)NC1=O,1,GDB MedChem
164962,CN=c1ncscc1OC,0,GDB MedChem
149455,Cc1cc(CC(C)C)c(O)c(CO)n1,1,GDB MedChem
170318,CC(C)(O)C(C(=O)[O-])C1([NH3+])C(O)C1CC#N,0,GDB MedChem
306550,[NH3+]C1(C(O)C#CCc2nc[nH]n2)CC1,0,GDB MedChem
601,CCC1CCC2CCCCOC1C2,1,GDB MedChem
256536,C#CCOCCC(O)C(C)C(C)([NH3+])CN(C)C,0,GDB MedChem
4480,CC#CC1CC(C)(C)C(O)CO1,0,GDB MedChem
149768,CC(C#N)C1(N)CN(C)C1,0,GDB MedChem
257380,CCC#CCC([NH2+]C)C(C#N)CC,0,GDB MedChem
303203,CCCCC(CCCC)C([NH3+])C(C)(C)[NH2+]CC,0,GDB MedChem
161559,C#CC1OC2(C[NH2+]C)COCC[NH2+]CC12,0,GDB MedChem
56359,C#CCCC1CCC(O)C2CC12C,1,GDB MedChem
302072,CC#Cc1nc(C#N)oc(=O)c1C1(C)CC1,0,GDB MedChem
132081,CCC1=CCC2CC2C2C[NH+](C)C12,0,GDB MedChem
170346,C#CC1([NH3+])C2=CCCCC3C(CC)=CC1C23,0,GDB MedChem
373514,CCCC1[NH2+]C(CCCOC)C1(C)C(C)C,0,GDB MedChem
267458,CC#CC(O)C1C=CS(=O)(=O)N(C(C)=O)C1,0,GDB MedChem
347125,C#CC(N)C(C#N)C(C)[NH+]=C(N)N(C)C,0,GDB MedChem
128536,COC1C2C=CC1C(C#N)C2,1,GDB MedChem
358981,N#CCC(OCC[NH3+])C1CC[NH2+]CC1CCO,0,GDB MedChem
36370,N#CC1CCCC([NH3+])C12CC2C(CO)CO,0,GDB MedChem
251152,COc1cc(C(O)C2CCC(C)C[NH2+]2)ccn1,0,GDB MedChem
292084,CC1=C(C)C(=O)CCCC(C#CC=NO)N1,0,GDB MedChem
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175217,CC1c2cccn2C(CCCCC#N)C1(C)C,0,GDB MedChem
65232,[NH3+]CC(O)C1C=CC(CO)C1,0,GDB MedChem
226517,C#CC(O)C1=CCOCC(C)C=C1,0,GDB MedChem
34016,C#CC(CC[NH+]1CC2CC([NH3+])C(C2)C1)C(C)C,0,GDB MedChem
124943,C#CC([NH2+]C)(C1C=C(C(N)=O)CC1)C1CC1,0,GDB MedChem
278325,CCCC1C(C#N)=CCC12[NH2+]C1C=CC2C1,0,GDB MedChem
205396,CC(=O)CC1C(CO)=CCC[NH+]1C,0,GDB MedChem
52877,C[NH2+]C1C2C=CC1C(CCc1nc[nH]n1)C2,0,GDB MedChem
128357,C#CCC(C)(C)C1=C2CC=CC2=CC=CC1,0,GDB MedChem
101783,C#CC(C)=C1C(=C)C(=O)CCC1C,0,GDB MedChem
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13363,C#CC12C=CC3CC=C(C(CC)O1)C32,0,GDB MedChem
388313,CC(C)C1=C(C(C)[NH+](C)C)C(=O)OC1,0,GDB MedChem
223076,C#CCn1ccc(C2(CO)CCCC2)c1,1,GDB MedChem
144200,CCOCC(C)c1ncsn1,1,GDB MedChem
224292,CC(=O)CCC(=O)C(CCO)NC(N)=[NH2+],0,GDB MedChem
137479,C[NH2+]C1(C)CCC(C)CC1C1CC=CC1,0,GDB MedChem
40114,CC(=O)C(C#N)CC12CCCCC(CC1)C2O,0,GDB MedChem
122260,CC1=CC#CC(=O)OCOc2cc1c[nH]2,0,GDB MedChem
39521,C=C(CO)C(CC)CC1(C)C[NH2+]C1,0,GDB MedChem
96637,CCOC1C(N)C([NH3+])(CO)C1CO,0,GDB MedChem
106300,CC(O)C(C[NH3+])CCc1coc(=[NH2+])[nH]1,0,GDB MedChem
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60070,C#CC1=C2CC(OC)OC2C(C)C1C,0,GDB MedChem
299890,Cc1ccc2c(n1)CNC2=O,1,GDB MedChem
152677,Cc1c[nH]nc1C[NH+](C)C(C)C,0,GDB MedChem
255654,CCC[NH2+]CC(C(C)C)C1CCCOCC1=O,0,GDB MedChem
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78048,COCC(=O)CC(O)C(C)C(N)=O,1,GDB MedChem
250821,CC1C=CCC2(CC[NH2+]C2C)[NH2+]C1,0,GDB MedChem
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182638,Cc1ccc(OCCc2c(C)cccc2C)o1,1,GDB MedChem
99217,CC1=CC2[NH2+]CC3(CC3)C2COC1CO,0,GDB MedChem
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52553,CC(C)CC1=C(C#N)COC(C)C=CC1,1,GDB MedChem
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107141,CCc1c[nH+]c(CC2CC([NH3+])(C[NH2+]C)C2)[nH]1,0,GDB MedChem
86243,CNc1nc(N)c2c3c1OC=CC3=NC2,0,GDB MedChem
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325494,N#CC1=CCC=CC=C(C2CCC2)C#C1,1,GDB MedChem
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294379,CN1C(=[NH2+])NC(CCO)C1C1([NH3+])CC1,0,GDB MedChem
360954,C[NH+]1CCC(O)C#CC2CCC2CC1,0,GDB MedChem
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14812,CCC#CC1CC2CCCC2C1,1,GDB MedChem
395528,O=C1CNC2(CC2)C(=NO)C1,1,GDB MedChem
179546,CC1CC(CC(=O)[O-])C(C(C)(C)[NH3+])O1,0,GDB MedChem
160216,CC1COC(C)(c2cc(C3CC3)cs2)C1,1,GDB MedChem
109878,CC1=CC(=O)CCC1(C)C(C)CO,1,GDB MedChem
12558,C#CC1(O)C=CN(C(C)=O)CC1[NH2+]C,0,GDB MedChem
6330,CCC#CCc1cocc1C(C)(C)C,1,GDB MedChem
130687,CC#CCOC1(C)CC(CC(C)C)C1,1,GDB MedChem
128552,N#CC1C=CCNC2C(=O)OCC2=C1,0,GDB MedChem
148412,CCC1(C)CCC1,1,GDB MedChem
138466,CN=C1NC(=O)C2CC(O)CCN12,0,GDB MedChem
52622,C=C1CCC(=C)C2(CC)OCC=C12,0,GDB MedChem
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380680,C#CC(CC1CC(N)(CC[NH3+])C[NH2+]1)C(C)(C)C,0,GDB MedChem
293238,CCC(CCNC(=O)CCO)OC,1,GDB MedChem
109031,CC1CCC(C)([NH2+]CCC(N)=O)C2CCCC12,0,GDB MedChem
127809,C#CC1C2=CCC(=O)C3CC=C(CC)C1C23,0,GDB MedChem
152154,CC1=C(C2(C)CC(C)C2)C[NH+](C(C)C)CC1,0,GDB MedChem
80859,CCCCCn1ncc(=O)cn1,0,GDB MedChem
302848,C#CCC1C2CC[NH2+]CC(C2)C1[NH3+],0,GDB MedChem
201963,C#CC(=O)CN1C=CC(=NO)C12C(O)C2O,0,GDB MedChem
264256,C#CC(=O)C1C=C(C)C(C)(C)C(=O)NC1=O,0,GDB MedChem
128161,CCc1[nH]c(C)c(C(C)(C)OC)c1C(C)C,1,GDB MedChem
155998,NC1C=C2C[NH2+]CC2OC1=O,0,GDB MedChem
199266,Cc1cc2c(cn1)NCC(C)(C)NC(=O)NC2,1,GDB MedChem
248937,CCC1C(C)CC1(CO)[NH+]=C(N)N,0,GDB MedChem
276662,CC#CC1CC2OC(=O)C(C)=C(C)C12,0,GDB MedChem
206599,CC(C[NH3+])NC1(C)CNC(=O)OC1,0,GDB MedChem
209335,CC1C=CC=CC2C=CC(=C1CO)C2,0,GDB MedChem
75732,CCCCCC1(CCCC)CC(C)C(C#N)C1,0,GDB MedChem
293694,CCCCC1=CCC2OCC12,0,GDB MedChem
121031,COC1(C(=O)C#N)C=CCCCOC1,0,GDB MedChem
256298,C[NH2+]CC1CC([NH3+])CC([NH3+])C1CO,0,GDB MedChem
373563,O=C([O-])CCC1(O)C[NH2+]CC(O)C1,1,GDB MedChem
33402,CCC1COC(C)(C(C)[NH3+])C1C,0,GDB MedChem
194821,C1=C2C(COC1)OCC21CCC1,0,GDB MedChem
66403,CC[NH2+]CCC(C)C1=CCC=C1C,0,GDB MedChem
260482,CCOC1C(CO)C[NH+](C)C1CC(C)C(C)C,0,GDB MedChem
381542,C#CC1(C)OCC1C(C(C)C[NH2+]C)S(=O)(=O)[O-],0,GDB MedChem
32360,C[NH2+]C1CCC[NH2+]C(CO)C12CCC2C,0,GDB MedChem
55826,C#CC1(C)C[NH2+]C1C(C)=NO,0,GDB MedChem
279005,CC1=CC2CCC2C1(C)O,1,GDB MedChem
128373,CC([NH3+])C1(O)CC(CC(C)([NH3+])C[NH3+])COC1=O,0,GDB MedChem
262679,C#Cc1ccoc1C1COCO1,1,GDB MedChem
336549,CCC1OC2(CO)C=CC(=O)CC2C1=O,0,GDB MedChem
285209,C=CCOC1OC2CC2(C)C=C1C,0,GDB MedChem
52353,CCC1OC(C)C=C(C)CCC2(CC2)O1,0,GDB MedChem
383560,C#CC1=C(CC(=O)[O-])CCC1C(F)(F)F,0,GDB MedChem
53585,CC1CC(CC#N)C(C)(C)CC1CC(C)(C)C,0,GDB MedChem
183916,CCCc1coc2c(OCC)cnc(=N)c-2n1,0,GDB MedChem
123372,CCC1C2CC(C(C)=C2C)C1C,1,GDB MedChem
396256,O=C1CC=C(C23CCC=CN2C(=O)C3)C1,0,GDB MedChem
264431,CNC1C2[NH2+]CC(CC[NH3+])(C(N)=O)C12,0,GDB MedChem
105186,C#CCCC1C2CCC1C(C)C2,1,GDB MedChem
21594,C[NH2+]C1CCC([NH3+])C2C(CC[NH3+])CN2C1,0,GDB MedChem
212458,C#CC([NH2+]C)C(O)CN1CC2NC(=[NH2+])NC2C1,0,GDB MedChem
52335,Cc1cnoc1C1=CCCCC2(CC2)OC1,0,GDB MedChem
99252,CC#CC(C)CC(C)CC(C)CC(C)C,1,GDB MedChem
195129,C[NH2+]C1CC12C(C)N(C)C2C,0,GDB MedChem
139321,N#CCCCC(CCCCO)c1ncsn1,0,GDB MedChem
373084,CNC(=O)C[NH2+]C12CC(C(C)O)OC1C2,0,GDB MedChem
134272,COC1C=CC2[NH2+]CC=C21,0,GDB MedChem
137048,CC=C(C=CS(C)(=O)=O)c1cnc[nH]1,0,GDB MedChem
14949,C=C1C([NH3+])C=C2C1CC(O)C2CO,0,GDB MedChem
316827,CCC1CC2C(=CC3CC32)C[NH2+]1,0,GDB MedChem
209991,CCC1CC(C)(O)C(=O)OC1CC1CCCC1,0,GDB MedChem
84662,CC1OC2CC(O)C(=O)CC12,1,GDB MedChem
147706,O=c1cc(C2=CCOC2)cc2[nH]cccc1-2,1,GDB MedChem
222952,N#CC(N)COC1CC(CO)C1[NH3+],0,GDB MedChem
272714,CCCC12CC(C)C(C[NH2+]1)C2,0,GDB MedChem
31548,C[NH+](C)C1CCC2(CC2)C(=C2CCCC2)C1,0,GDB MedChem
3066,C#CCC(C(C)=O)C1C[NH2+]C2CCC21,0,GDB MedChem
279039,C#CC1=CCC2=C(C[NH3+])Cc3ccnc1c32,0,GDB MedChem
32937,C=Cc1ccn(-c2c[nH+]c(N)[nH]2)c1,0,GDB MedChem
2814,CC12COC(=O)C(CC1C(CC[NH3+])C(N)=O)C2,0,GDB MedChem
340023,CCOC1(C)C=CC(O)C1,1,GDB MedChem
110418,CC1CC(C#N)(CC2=C(C=NO)CCC2)C1,1,GDB MedChem
319536,CC=C1C=CC=CC(=CC#N)CC1,1,GDB MedChem
89860,Cc1nsc(-c2cc(Cl)cc(Cl)c2[O-])n1,0,GDB MedChem
155400,C#CC1C[NH2+]CCC2(C)CC3CC3C=C12,0,GDB MedChem
26504,C#CC1=CC(C2CC2)C=C2CC=CC2C1=NO,0,GDB MedChem
92931,CC#CC1CC=CC(C[NH2+]C)O1,0,GDB MedChem
201202,C=CC1(O)C=CC=C1n1ncnn1,0,GDB MedChem
59083,C#Cc1c(C(C)(C)C)cc2ncccc2c1F,1,GDB MedChem
102874,CCC1OC(C)(C)C(C(C)O)=C1C,0,GDB MedChem
65233,C=CCC1(C)CC1[NH2+]CC#CC[NH3+],0,GDB MedChem
150759,CC1=CC(C)OC(C)C1,1,GDB MedChem
122267,CC(C)C1CC2C(CC[NH2+]C2(C)C(=O)[O-])[NH+]1C,0,GDB MedChem
270632,C=C1C#CC=CC(CC)CC[NH2+]C1,0,GDB MedChem
15015,C#CC(C)C1COC(C2CCCC2)CC1(C)C,0,GDB MedChem
98163,C[NH2+]C1(C)CC=CC1c1cc(OC)co1,0,GDB MedChem
35885,ON=C1C=C2CC=C3C[NH+](CCCCC1)C23,0,GDB MedChem
23217,CN(C(N)=O)C(C#N)=CC(C)(C)C,0,GDB MedChem
142140,CCC1CC12CCCCCC2,1,GDB MedChem
208646,C#CC(CC[NH2+]C1C=C(CC)C(C)(C)C1)=NO,0,GDB MedChem
280382,CC1=CCOC2(C3CCCCO3)CCC12,0,GDB MedChem
106342,C#CC1C2C=C(C)C(OC(N)=O)C12C,0,GDB MedChem
369656,C#CC12C[NH2+]CCCC=C(CC1CC)C2,0,GDB MedChem
247903,CC[NH+]1CCNC(=O)C2CC21,0,GDB MedChem
268958,C#CC(CC)C(C)(C)COC(=O)C1CCCO1,1,GDB MedChem
272178,CC#CC1=CCC2CC([NH3+])C12,0,GDB MedChem
245651,C=C(C(C)C)S(=O)(=O)C=CC#CCO,0,GDB MedChem
15816,Cc1nc(C#N)nc2c1CC=C2CC1CC1,0,GDB MedChem
354882,Nc1cccn1CC1CC(=O)C1,1,GDB MedChem
170340,C#CC1(C#N)CC(OC)CN(C)C1,0,GDB MedChem
216784,CCC1C[NH2+]CCC(C)(C)C(CCC(N)=O)[NH2+]1,0,GDB MedChem
177678,C[NH2+]C1(C2CC2)CC(C(=O)[O-])C1,1,GDB MedChem
210015,CC1CC([NH+](C)C)C2OCC2(CO)C1,0,GDB MedChem
291388,C#Cc1c[nH]c(C2C3C=C(C)CC2CC3)c1,0,GDB MedChem
187380,O=C(OC1CC1)C12C=CCCC1[NH2+]C2,0,GDB MedChem
175142,CCCc1c(O)cc(C)c(CC[NH+](C)C)c1F,0,GDB MedChem
121598,CC1=CN(C)C(=O)C(C)N(C)C1=O,1,GDB MedChem
300607,CC1=CC2CCCC(CO)=C2C1,0,GDB MedChem
346440,CC1CC(CC#CCO)(C([NH3+])(C[NH3+])C[NH3+])C1,0,GDB MedChem
289563,CC1C2CC(=O)C=C3CC1C32,1,GDB MedChem
170327,CC(C)c1cccc(C2([NH3+])C=CCCC2)c1,0,GDB MedChem
36573,CCC1=CCC2(C1)OCCCC1=CC2[NH2+]C1,0,GDB MedChem
124465,O=c1ccc(=O)[c-](-c2ncn[nH]2)cc1,0,GDB MedChem
187538,CC1CC2(CCCOC2)C(=O)N1CC(C)(C)[NH3+],0,GDB MedChem
116691,C#CC(C)(C)c1cc(C)c2c3c1OCC3CC2,1,GDB MedChem
129061,N#CC(O)C(CO)OC1(CO)CC1,0,GDB MedChem
265181,N#CC(N)C1=CC([NH2+]CCO)CCC1,0,GDB MedChem
114004,Cc1cc2c(C)ccc(C(C)(C)C)c2cn1,1,GDB MedChem
360956,N#CC1=CCCC=C2CCCC([NH3+])(C1)C2,0,GDB MedChem
198466,C[NH2+]C1(c2ccn[nH]2)C#CCCC=CCC1,0,GDB MedChem
198215,N#CC1C2=CC3=CCCC3[NH2+]CC1OC2=O,0,GDB MedChem
347375,CCC1(O)CCC(C)=C(C)C#CC(=O)C1,0,GDB MedChem
231889,O=C(NCCO)C1CC=CCO1,1,GDB MedChem
302980,CC(C1CCC(C)(C)c2ccccc21)[NH+](C)C,0,GDB MedChem
252408,OC1CCCC2=C1CCC2O,1,GDB MedChem
360360,COCC1(O)CN(C)CC1[NH3+],0,GDB MedChem
315677,C#CC1=CCC(CC#N)=CC=CCC1C,0,GDB MedChem
362102,CC1C(c2ccoc2)=CCC1[NH2+]CC(N)=O,0,GDB MedChem
93891,C#CCCCC12CCCC1Cc1cccn1C2,0,GDB MedChem
285440,CCN1CCC2(CC2)CC(=O)C1,1,GDB MedChem
179023,C=CC(=CC1=CCOCC1=C)C[NH3+],0,GDB MedChem
27458,CC1=C(C[NH3+])C2C([NH3+])CC2C1C,0,GDB MedChem
385517,O=C1CCC2(CC2)OCCN1,1,GDB MedChem
249115,CC12OC3CCCCCC=C3C1C2O,0,GDB MedChem
15207,CC(CC#CC(CC#N)C1CC1(C)C)=NO,0,GDB MedChem
102778,CC(CCCCO)C[NH+]1CCNC(C)CC1C,0,GDB MedChem
356021,CC1(C)OCC(C#N)C(N)=CC1=O,0,GDB MedChem
52611,C#CC1CCC(CC2CC[NH+]3CCC2(C)C3)C1,0,GDB MedChem
352311,CC1=CC#CC=CCCc2ccsc21,0,GDB MedChem
57330,CCC1=CC=C2C=CCC(=CC2)C#CC=C1,0,GDB MedChem
13690,Cc1[nH]c(C(C)C)c2c1C=CC(C)(C)C=C2,1,GDB MedChem
123881,O=C1CCC(Cc2cccc3c(O)c[nH]c23)C1,1,GDB MedChem
253825,C=CC(O)CC(CC)C1CC(=NO)C1,1,GDB MedChem
125516,C[NH+]1CCC2CC1C(C[NH3+])O2,0,GDB MedChem
366355,CC1=CCNC(N)=[NH+]CCC=CC1=O,0,GDB MedChem
72322,C#CC(=CN)S(=O)(=O)C1=CCCOC1,0,GDB MedChem
131803,N#CC(CO)C1CC1C1COCO1,0,GDB MedChem
149002,C#CCC(C)C1[NH2+]CC2OCC1C(C)(C)CO2,0,GDB MedChem
232553,CCC1C[NH2+]CC=CCC(C2CC2)CC1=O,0,GDB MedChem
193370,CC12CCC1C=CC=CCO2,1,GDB MedChem
178118,CC1CCCC(CC23CCC(CC2)C3C)C1[NH3+],0,GDB MedChem
152410,CC(CNC(=O)CCCO)CC1CC1O,1,GDB MedChem
52334,CC(C)[NH2+]C(C#CC(C[NH3+])OC(C)C)CO,0,GDB MedChem
151497,C#CC(=O)C(C)(C)C(=O)C(=O)CNC(N)=[NH2+],0,GDB MedChem
62216,CCC1(Cc2nc(=N)c(C)cs2)CC1,0,GDB MedChem
368698,CC#CC(=O)N(CC)C1CC(C)(CCC)C1,0,GDB MedChem
127336,OC(CC1CC1)C1=CCC2C(O)C12,1,GDB MedChem
90271,CCC1(C(C)OC)C=CC=C1C[NH3+],0,GDB MedChem
372813,CCC1OCC[NH2+]C2CC(O)CC1=C2C[NH3+],0,GDB MedChem
187965,CC(C)Oc1ccnc2c(=N)occc12,0,GDB MedChem
178111,CC1(C)C#CCC=CCN(C=O)CC1,0,GDB MedChem
188447,C#CC1CN(c2cc(C)n[nH]2)C(CC)C[NH+]1C,0,GDB MedChem
57579,CC1=CCc2occc2C[NH2+]C1,0,GDB MedChem
143550,C1=C2CC(CCC23CC3)C[NH2+]CCC1,0,GDB MedChem
50810,CCC1=CC(NC)=C(C)C(=O)CC=C1C,0,GDB MedChem
306029,C=C1CCC12C[NH2+]C(COC)C2N,0,GDB MedChem
30856,C[NH+](C)CCC12CC1CCO2,0,GDB MedChem
273562,CCC([NH2+]C)C1(O)CC(=O)C=C1C,0,GDB MedChem
360366,COC1C(C#N)OCC2CC21,0,GDB MedChem
63978,CC1CC2=CCC=CCOC21,1,GDB MedChem
358363,CNC(=O)C=CC1C(C[NH3+])C1[NH2+]C,0,GDB MedChem
282887,CC(C)OC1C2=CCC1C#CC([NH3+])CCC2,0,GDB MedChem
250491,CCCC([NH3+])C1CCC(=O)Oc2ccoc2C1,0,GDB MedChem
52865,CC[NH2+]C(C)CC(C[NH3+])C(C)C,0,GDB MedChem
75763,C#CC1=CC2(C=CC=CC=CC2)CC1,0,GDB MedChem
360084,C#CC(=O)Cn1nc(NC)cc1CO,1,GDB MedChem
143580,CNc1nc(OC2CC2)c(C(C)C)cc1O,0,GDB MedChem
295314,C=C(CC)C1C(C)C12CC=CC2=C,0,GDB MedChem
30508,COC1CC[NH2+]CC(O)C1(O)C[NH3+],0,GDB MedChem
88848,C[NH+]1CC(CO)C=CCCOCC12CC2,0,GDB MedChem
124926,C#Cc1cccc(C2CCC[NH2+]C2)c1C(C)C,0,GDB MedChem
276630,C=C1C2CC(C[NH2+]C3(CC3)C2)C1[NH3+],0,GDB MedChem
33620,CC=C(C)C1C[NH2+]CC1C(N)C#N,0,GDB MedChem
27904,CC#CC(C)(CO)C(O)CCC,1,GDB MedChem
25679,CC1C(C#N)C2CC12C1CC1,0,GDB MedChem
295313,CC1=CCC2(CC2)CC1O,1,GDB MedChem
257382,C#CC=CC1([NH3+])CN(CC)C1C[NH3+],0,GDB MedChem
137670,CC[NH2+]Cc1sc(N)nc1NCC(=O)CCO,0,GDB MedChem
360936,OCC1C(CO)C2OCOC1C2O,0,GDB MedChem
160499,C[NH2+]C1CC2(C1)C(O)C2CO,0,GDB MedChem
314324,CC#CC1CC(CCC2=C(C)C([NH3+])CC2)C1,0,GDB MedChem
170888,CC1C2C=CCC1([NH3+])CC2,0,GDB MedChem
285340,CC=CC1CC2(C)CCCC([NH3+])C12,0,GDB MedChem
224374,C#CC1=C(C)C=Cc2nc(CC)cn2C1,0,GDB MedChem
315994,CC1C2C=CC([NH3+])CCC12[NH3+],0,GDB MedChem
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152449,CC(C)C1CCC(O)CCC2NC(=O)OC2O1,0,GDB MedChem
5971,C=C(C=CC[NH2+]CC)CC(O)CO,0,GDB MedChem
239558,CC([NH3+])(C1C=CCCN1)C1(O)CCCCC1,0,GDB MedChem
23214,C1=CC2CC(C=CC1)N2c1nncnn1,0,GDB MedChem
111168,CCc1cc(OC(C)(C)C)c(CO)c(N)c1F,1,GDB MedChem
145848,C#CC(C)(C)CC(O)C1OCC1CC,0,GDB MedChem
205345,CCC1C(C)CC(CC[NH3+])C[NH2+]CC1(N)C[NH3+],0,GDB MedChem
200035,C=CC12CC=C(C)CC1OC(=O)N2,1,GDB MedChem
270732,C#Cc1ccc(N(CC)CCC2C[NH2+]C2)o1,0,GDB MedChem
326109,C=C(C=CS(=O)(=O)C=O)C(C)=CC#N,0,GDB MedChem
291422,C#CCC1OCCCC([NH2+]C)C(N)CO1,0,GDB MedChem
102872,O=CN1CC2=CC(=O)CC3[NH2+]CCC23C1,0,GDB MedChem
297726,C[NH+](C)C1CCCCC(O)(CCCC#N)C1=O,0,GDB MedChem
182701,O=C1C=CC=C1C1CCC2OCC21,0,GDB MedChem
220082,COCCC(C)([NH3+])C1OCC1C[NH3+],0,GDB MedChem
361037,CCC1C[NH2+]CCC23CCC2CCC13,0,GDB MedChem
11975,CC1(C)CCC2=C1CCC=CC2,1,GDB MedChem
96190,C#CCOC(C)(C)c1ccc(O)c(C)c1C,1,GDB MedChem
135729,O=C1COCC2C[NH2+]CC1(CCO)O2,0,GDB MedChem
35870,CC(C)C[NH+](C)C1CC1(O)C#CC[NH3+],0,GDB MedChem
20976,C#CC1=C(c2coc(C)c2)C=CCC=C1,0,GDB MedChem
171190,CCc1c(C#CCO)[nH]c2c1CCC2,1,GDB MedChem
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380140,CC1=C2C(=O)CC=C2C(C)C(C)(O)C=CC1,0,GDB MedChem
280167,C[NH2+]C(C)C(C(C)(C)O)C1(C(C)=O)CC1,0,GDB MedChem
299911,[NH3+]CC#CC(=CC1(O)CC1O)CO,0,GDB MedChem
150761,C#CC(O)C1CC=C2C(COCC)=CCC21,0,GDB MedChem
306908,C#CCC1(C[NH2+]C)CC(C)O1,0,GDB MedChem
319061,CC(=O)C(C)(C)C(C)(C)C(O)COC(C)(C)C,1,GDB MedChem
371906,CCN(C(C)=O)c1nc(C2CCC2)c[nH]1,1,GDB MedChem
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38677,C#CCC(C)C(CC(C)CCC#N)C(C)CC,0,GDB MedChem
385846,CC(CO)C1(CC(O)C(N)=O)CC1C,0,GDB MedChem
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39509,N#CC(CO)C1[NH2+]C2CCC21,0,GDB MedChem
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66263,CC(C)([NH3+])C(CO)C1CC(O)C1CO,0,GDB MedChem
123897,CCCC1CC(CC)C(OC)C1O,1,GDB MedChem
118785,C[NH2+]Cc1occc1C(C)[NH3+],0,GDB MedChem
82704,N#CC1NC(=O)C(O)C12CC2,1,GDB MedChem
301714,C#CC1(Oc2cncnn2)CC1C,1,GDB MedChem
352426,CC1=CCC2C3OCC3=C(C)CC(=O)C12O,0,GDB MedChem
250826,CNC1=[NH+]CC(C(C#N)C(=O)[O-])C(C)N1,0,GDB MedChem
224338,CN1C2C=CCC1C(C1=CNCS1(=O)=O)NC2,0,GDB MedChem
192651,CC1=CC=C2CCCC(C)=C2CC=C1C,0,GDB MedChem
206127,N#CC1CC=C(CCO)C12CCCO2,0,GDB MedChem
240567,C#CCC1C=CCC12CCO2,0,GDB MedChem
247890,C#CC[NH+](C)C(C)Cc1ccc(C)s1,0,GDB MedChem
44171,CC[NH+]1C2C=CCC=CCCC=C2C1(C)C,0,GDB MedChem
297329,CC1=CCOC1C12CCCC1[NH2+]CC2,0,GDB MedChem
81193,COCC1OC(C)CC1C(C)C,1,GDB MedChem
71844,C#CC(C)(C)c1cc(C2CCCC2)c(CC)s1,1,GDB MedChem
35259,C#CCC1C[NH+](CC2CCCC2)C(C)(CN)C1,0,GDB MedChem
281520,CC1CC(CC2CC2)(CC2CC2)CO1,0,GDB MedChem
198179,CC(C(=O)[O-])C(C)(C)[NH2+]Cc1cc[nH]n1,0,GDB MedChem
35399,C#CC1(C)C=CC=C(C(C)=O)C=C(C)CO1,0,GDB MedChem
264057,[O-]c1cc(F)c2cnc(O)nc2c1,1,GDB MedChem
13258,COCC1C(C)=C(C)CC1(C)C,1,GDB MedChem
149559,CC#CC12CCC=CC(C)=C1C(OC)C2,0,GDB MedChem
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389841,CC1CC2OCC(=NO)C(CO2)C(=NO)C1C,0,GDB MedChem
391927,CC[NH+](C)CCCC1(C)OCCC(CC[NH3+])O1,0,GDB MedChem
152160,CC[NH+]1CCCC(C)C12CC=CCC2,0,GDB MedChem
14685,CCC1CC2CC(O)(CC[NH3+])C=C12,0,GDB MedChem
341475,C#CC1=C(C)C(=O)C(=NO)CCCOCC1,0,GDB MedChem
233709,CC1C2CCCC3(O)C[NH2+]CC=C3C12,0,GDB MedChem
144036,CC1=CNC(=O)C=C(N)CCC1O,0,GDB MedChem
133869,C#CCC1[NH2+]CC(C)CC1C(N)C(C)(C)[NH2+]C,0,GDB MedChem
57079,CCC(O)Cc1c(C[NH2+]C)cn(C)c1O,0,GDB MedChem
147,C#CC(CCC(C)(C)C)Cc1[nH]ccc1OC,0,GDB MedChem
128233,CC([NH3+])C1C([NH3+])COC1c1ccn[nH]1,0,GDB MedChem
56962,C#CC(C=C)(C=CC)n1nnnn1,0,GDB MedChem
33659,CC(=O)NC(C)(C)C[NH+]1CCC(C)([NH3+])CC1,0,GDB MedChem
327663,CCC1=CC2(CC2OC)C(=NO)CC=C1,0,GDB MedChem
189698,CCCC1CCCC=C(COC)CC[NH2+]1,0,GDB MedChem
359325,[NH3+]C1(COc2ocnc2-c2cocn2)CC1,0,GDB MedChem
10829,CCCOCC1OCCC1(O)C(CC)C(C)C,0,GDB MedChem
307146,C#CCC1C2OC(C)C1C=C2C(CC)=NO,0,GDB MedChem
125212,CCC1C(CO)C=CCOC1CO,0,GDB MedChem
372903,CC(C)C1C(NC(N)=O)C=CC2CC21[NH3+],0,GDB MedChem
340377,CN1CCCC(=O)CC2CN(C)C1=[NH+]2,0,GDB MedChem
32266,Cc1ccc(C2(O)Cc3ccccc3C2)cc1,1,GDB MedChem
231289,C=CCC1=CC2[NH2+]CC2=C1C(C)=O,0,GDB MedChem
41570,CC1OC(C=N[O-])C=CC1(O)C(C#N)CO,0,GDB MedChem
216226,CNC(=O)N1CC(CC(C)C[NH3+])C1,0,GDB MedChem
364956,CN(C=O)C1CCC(O)CC(=O)C1O,0,GDB MedChem
29827,CC1CC[NH+](CC2CC2)CCC2C=CC1C2,0,GDB MedChem
178416,CCC1=C(CCO)C(C)C(=O)N1,0,GDB MedChem
66236,CC1CCCCCC1c1cc2sc([O-])cc2o1,0,GDB MedChem
123756,C1=CC2C(C1)CC21COC1,0,GDB MedChem
48440,CC1CCCC1[NH2+]CC1(O)CCC1,1,GDB MedChem
335370,CC(=O)CC(O)C(C)S(=O)(=O)C1CC1,1,GDB MedChem
367364,C=C(C[NH2+]C)C1C2C=CCC21CC,0,GDB MedChem
187537,CC1C=Cc2c[nH]cc2OCC1,1,GDB MedChem
270903,C=CN=c1nc(C(C)C[NH3+])ncs1,0,GDB MedChem
182724,CC1=CC(O)C2(C=CCN(C=O)C1)CC2,0,GDB MedChem
209328,CC12CCCC1CC[NH2+]C2CCC(O)CC[NH3+],0,GDB MedChem
181915,CC1OCC(=O)[C-](CC(O)C2CC2)C1=O,0,GDB MedChem
86429,C=CC(CC)Cn1nccc1NC,1,GDB MedChem
376922,CC1C[NH+](C)CC(C)(O)C(=O)O1,1,GDB MedChem
60084,CC(C)CCCCCCCCCC1CC[NH2+]C1,0,GDB MedChem
353656,CC1=CCCC2(CC2)[NH2+]CC1C1CC1,0,GDB MedChem
219328,C#CC1CC(=O)C2(CCC(=O)CN2)CCC1O,0,GDB MedChem
93933,CNCC(=O)OC(C#N)(CO)CCC(O)CO,0,GDB MedChem
314468,CC(C[NH3+])n1ccc(=O)nc1,0,GDB MedChem
362409,C#CC1C2CC(C)OC(OC(=O)N2)C1(C)C,0,GDB MedChem
216227,N#CC1(C2C[NH2+]C2)C=CC(CCO)C1,0,GDB MedChem
369179,CC(C)C([NH3+])C1(C2CC2C2CC2)CC1,0,GDB MedChem
383563,CC1=CC(CC2CC2)[NH2+]C1(C)C,0,GDB MedChem
141015,O=c1cc[cH-]c2c([nH+]cn2C2CC2)c1=O,0,GDB MedChem
135,CCC(c1c[nH]c(=O)s1)C1CC=CC1,1,GDB MedChem
31577,CC([NH3+])CC1OC2C=CCOCC21[NH3+],0,GDB MedChem
297176,O=C1CCC2(C=CCC2)C(C(=O)[O-])O1,0,GDB MedChem
129678,CNC(=O)OC12CC=C(CC(C)C)CC1C2,1,GDB MedChem
245584,CC1[NH2+]C(CCO)C(N)C1(O)C#N,0,GDB MedChem
31727,CC(C)C1N(C)CC1(C)C#N,0,GDB MedChem
210050,C#CC1=CC(=O)CC(C(C)=O)=CC1C,0,GDB MedChem
61590,CC1[NH2+]CC12CC1CCC12,0,GDB MedChem
248016,C[NH2+]C1CCCCC2C(=O)C(=O)N(C(C)C)C12,0,GDB MedChem
357214,CN1C(=O)COCC2OC3CC3C21,0,GDB MedChem
65221,CC(C)CC1=CC[NH+]2CCC(=CC1)C2,0,GDB MedChem
99267,CCC=CC1C(=O)C=CC2OCC21,0,GDB MedChem
271694,CCC1CC(C2C(CCO)=CC[NH+]2C)C1,0,GDB MedChem
116334,C#CC1=C(CC[NH3+])C=C2COC21C,0,GDB MedChem
39369,CC1=C(CC(=O)[O-])CC2=CCCC2C1,0,GDB MedChem
329903,O=C1C=CN2CCC2CC12CC2,1,GDB MedChem
205665,CC1CCCCOC(=O)CC1(C)CC(C)(C)C,0,GDB MedChem
375595,CC1=Cc2coc(c2)C(C)C(C)C#CC1,0,GDB MedChem
164113,C[NH2+]C1C2C[NH2+]C1CC(C)C2,0,GDB MedChem
395576,CC([NH3+])CC1(O)C=CCC1,1,GDB MedChem
292788,C[NH2+]CCc1[nH]cc(CC(C)(C)C)c(=[NH2+])c1C,0,GDB MedChem
239567,CC1=C2COCC2(O)COC1,0,GDB MedChem
121925,C#CCCc1cc(C)c(CCO)c(C(C)C)n1,1,GDB MedChem
56097,COC1CCN(c2sccc2C(C)C(C)C)C1,1,GDB MedChem
192051,CCC(C#N)C1C2CC=C(C[NH3+])CC21[NH3+],0,GDB MedChem
325995,C#CC(CO)[NH2+]CCNc1onc(CC)c1C,0,GDB MedChem
208665,C1=CC(C2CC2)CC(c2ccoc2)[NH2+]C1,0,GDB MedChem
346101,COCC1C=CCC(O)CCC1,1,GDB MedChem
156884,C#CC(C)C1(O)CNC(=O)OC1,0,GDB MedChem
133443,[NH3+]CCC1C([NH3+])C12COCO2,0,GDB MedChem
248961,CC1OC(CC(C)(C)C)C2CC12,0,GDB MedChem
275240,COC1(CN(C)C(C)=O)C=CCCO1,1,GDB MedChem
335737,COC1OCC[NH2+]C2CC2C1O,0,GDB MedChem
239883,CC1CC2CCCOC2C(C)(C)CC[NH+](C)C1,0,GDB MedChem
75781,CCC#CC1=CC[NH+](C)C23CC2CC=C13,0,GDB MedChem
262711,COCCC1C2C=CCNC(=O)C21,1,GDB MedChem
208680,CN(C)C1C(=O)COCC1=O,1,GDB MedChem
325459,[NH3+]C1C=CCC(O)C=C1,0,GDB MedChem
346445,N#CC(=O)C1C2C[NH2+]CC21,1,GDB MedChem
276949,C#CC(C)(C(C)(C)[NH3+])C1(C)CCCC1CCC,0,GDB MedChem
342758,CC1C2CC3=C(CCC(CO)C3)CC2[NH+]1C,0,GDB MedChem
356966,CCCCCC(Cc1ccno1)CC(O)C#N,0,GDB MedChem
124972,CCC(=O)C12C=CC=CC=C(CC[NH2+]1)C2,0,GDB MedChem
355201,[NH3+]CC(O)C1OCC(O)CCC1O,0,GDB MedChem
357321,CCCOC1C2C=CCC(C)C21,0,GDB MedChem
10826,CC1(C)C(CCO)=CNC(=O)C(=NO)C1O,0,GDB MedChem
105813,NC(CNC=O)C(O)C[NH2+]C1CC1,0,GDB MedChem
343868,C#CCC1=CC=C2CC(=O)CC2CC1,0,GDB MedChem
144060,CC1=CC=CCC#CCC=CC(=NO)C1(C)C,0,GDB MedChem
300871,C[NH2+]C1C=CC=CC2=C1C(=NO)C(CO)N2,0,GDB MedChem
171954,CNc1scc(CCC(C)(C)C)c1C(O)C[NH3+],0,GDB MedChem
271919,CCOC(=O)c1c(F)c(NC)cc(O)c1C[NH3+],1,GDB MedChem
302176,CC1COC2(C[NH2+]1)C(C)C2CO,0,GDB MedChem
237571,C=C(C)C1=CC2(CC2)C(=O)N(C)C1,1,GDB MedChem
18464,CC1CC(C2CN(C=O)C2)=C2C=CCC21,0,GDB MedChem
138429,CC[NH2+]C1CCC(CC)(CC2CC2)CC1,0,GDB MedChem
362155,CCC(C)(C)C(=O)C1CC1,1,GDB MedChem
369013,CCC1CC(C2C(N)C2[NH3+])[NH2+]1,0,GDB MedChem
62289,C[NH2+]CCC1(OC)CC(CC(C)C)C1,0,GDB MedChem
372843,CC1C([NH3+])C1(N)C([NH3+])CCO,0,GDB MedChem
200296,C#CC(=C)C(=CC(=O)C#N)C(N)=O,1,GDB MedChem
207172,COC(C)C(C#N)C(=O)C12C=CC(C1)[NH2+]C2,0,GDB MedChem
372802,CC1=CC(C)C2CC2C=Cc2ocnc21,0,GDB MedChem
128200,CC1=CC(C)C2(CC2)NC(=O)C1,0,GDB MedChem
208630,CCC(CC)c1ccc2n1CCCCC2(C)C,1,GDB MedChem
190976,C#CC(CC([NH3+])(C=C)C=C)OCC,0,GDB MedChem
239502,CC#CC[NH+](C)C1CC=CC=C(C[NH3+])C1,0,GDB MedChem
144003,CCC1=C(C)c2coc(NC)c2C=CC1O,0,GDB MedChem
217646,CCC1=CCOCC(C)(CCO)C=C1,0,GDB MedChem
286658,C#CC1(C)C(=NO)CCCC2C[NH2+]C1C2,0,GDB MedChem
182640,O=C1NC(CCC2C(O)C2O)C1O,0,GDB MedChem
230927,COC1C(O)CCC=Cc2scnc2C1O,0,GDB MedChem
58140,NC1=[NH+]CC(C[NH3+])C=Cc2cc(N)ncc21,0,GDB MedChem
82444,C#CCC(C)C(CC(C)C)[NH+]1CC2CCC1C2,0,GDB MedChem
187364,CC1=CCCC#CC2CC2(C)C(CO)=C1,0,GDB MedChem
294825,C#CC(N)(CN(C)CC#N)C1C([NH3+])C1CO,0,GDB MedChem
153043,CCC1C(C(C)=O)OC12CC2,0,GDB MedChem
273767,CCC(C)C12COC(CO1)C2C,0,GDB MedChem
92261,Nc1coc2c1C([NH3+])CCOC(CC(=O)[O-])C2,0,GDB MedChem
352018,C[NH2+]C1(C2=CCC[NH+]3CCC3C2)CC=CC1,0,GDB MedChem
183692,COCC(=O)Cc1ccc(C)s1,1,GDB MedChem
335722,C#CC1OC(C)(C)C(C(N)=O)C=C1C[NH3+],0,GDB MedChem
355199,O=C1COC2C=CCCC=C1C2=O,1,GDB MedChem
296726,CC1=C(C#N)C2=CCCN2C1=O,0,GDB MedChem
359639,CCC1C(=O)C(OC2CCOC2)C1(C)O,0,GDB MedChem
16591,CC1=CCOCCCC1[NH+](C)C,0,GDB MedChem
302887,C=C1C2C(=CN1C=O)C=C(C)C2C,0,GDB MedChem
169520,CN(C=O)C(C[NH3+])CC1CCC1O,0,GDB MedChem
129945,CCOCCC(C)[NH2+]C(C)C(O)(CN)C(N)=O,0,GDB MedChem
156869,C#CC=C(C)c1c(N)oc(C)c1C,0,GDB MedChem
268804,C=CC1=CCCc2c1ccn2C=C,1,GDB MedChem
243241,C#CC1(OC2C3COC32)CC1,0,GDB MedChem
380099,C#CC1CC[NH+](C2C=C(C)C3CC32)CCO1,0,GDB MedChem
228932,CC1=C(C)C2(C)CC(=O)C(C2=O)C1O,0,GDB MedChem
163936,CC(=O)C(C)(C(C)=O)c1ccc2cc[nH]cc1-2,0,GDB MedChem
261108,C=C(C[NH3+])CNc1ccnsc1=N,0,GDB MedChem
318436,CC1=CC(C#N)C(N)C(C[NH3+])OC1,0,GDB MedChem
147489,C#CC1CC2C=CC1([NH2+]C)C2C,0,GDB MedChem
210585,CC1=C2CCC=C2CC2=CCCC2=C1,0,GDB MedChem
280956,COCC1=CCC=C(C)CCC(=O)C1,0,GDB MedChem
302034,C#CC(C)C(O)C1([NH+](C)C)CC(=O)C1,0,GDB MedChem
190600,CCC1(C#CC[NH2+]CC(C)C)CC(C)C[NH2+]1,0,GDB MedChem
226827,C#CC(=O)C1(CC)CNC2=[NH+]CCCCN21,0,GDB MedChem
89980,CC1=CCCC1CCC[NH3+],0,GDB MedChem
225782,CC(NC(=O)C#N)C1C[NH2+]C1,0,GDB MedChem
191146,CC1NC(=O)C1(N)CC#N,0,GDB MedChem
264222,COC1CC2C([NH3+])CN2C1,0,GDB MedChem
369243,C=CC=Cc1oc(C=CC)nc1C,1,GDB MedChem
30828,COCCC1C2[NH2+]CC(N)C12C,0,GDB MedChem
346005,C#Cc1c(C)[nH]c(C(C)COCC)c(C)c1=O,0,GDB MedChem
222969,O=C1C(OCCO)CC2(O)C(O)C12,0,GDB MedChem
339322,CCNc1c(C)cc(C#N)[nH]c1=[NH+]C,0,GDB MedChem
94027,C#CCC([NH3+])CCCC(C)(C)CC1CCCC1,0,GDB MedChem
221508,C#CC1(C)CC2C(C[NH2+]1)CC2C1CC1,0,GDB MedChem
239717,[NH3+]C(C1CC1)C1C2OCOC1C2O,0,GDB MedChem
22895,NC(=O)CNc1[nH]c(N)cc1C1CC1,1,GDB MedChem
89804,CCC[NH2+]CC(COC)CC1CC2C[NH2+]C1C2,0,GDB MedChem
62259,CCCC(CCCO)C1CCC(C#N)=C1C,0,GDB MedChem
368693,COC12CC=C(C=CC(C)C=C1C)C2,0,GDB MedChem
73627,CC#CC1(OC)C(O)C1O,0,GDB MedChem
189682,CC1C=C(C2(O)CC2[NH3+])CO1,0,GDB MedChem
122812,C#CCC1=CCC2(C3CCCO3)C([NH3+])CC12,0,GDB MedChem
35193,CC1CCCC2C(C3CC=CC3)=CC1[NH+]2C,0,GDB MedChem
333222,CCC(C)C1[NH2+]C2CC1C=C2C,0,GDB MedChem
57347,CNC(=O)c1cnn(C)c1C(C)=O,1,GDB MedChem
171150,CCC12C(CCCCC([NH3+])C1O)NC(=O)N2C,0,GDB MedChem
145563,CC1=CCC2C1CC(C)C2([NH3+])C#N,0,GDB MedChem
315961,CC#CC(CC)C(OCC[NH3+])C1CC1,0,GDB MedChem
196156,C#CC1(C)C[NH+]=C(N)N(C(C)C)CCC1[NH2+]C,0,GDB MedChem
191774,CCC[NH2+]C12CCC(O)C1C2,0,GDB MedChem
58155,CC([NH3+])C#CC1(O)C(O)C1O,0,GDB MedChem
231314,CCC(c1cccc(N)c1)S(C)(=O)=O,1,GDB MedChem
152675,C#CCC1=C(CO)C(C)=C2CC=CC2=CC1,0,GDB MedChem
320107,C=CC#CC1NC(C2CC2)CS1(=O)=O,1,GDB MedChem
137538,C#CCC1CC(C)(C)C(CCCC(C)(C)C)[NH2+]1,0,GDB MedChem
281708,CC(C)C([NH3+])CCCn1ncnn1,1,GDB MedChem
165010,CC(O)CCC1(C2C(C)C2C)CCC1,0,GDB MedChem
263599,C=CCC1C(=C)C[NH+]1CCC(=O)[O-],0,GDB MedChem
210036,CC=C1CC2CC=C(C)C2S(=O)(=O)N1,0,GDB MedChem
285680,CC1OCCC12CC(O)C[NH2+]2,0,GDB MedChem
297162,CC1=CC[NH2+]C(C2CC(C)C2)C(C)CCC1,0,GDB MedChem
207118,ON=C1CCC(OC2CC2)CC1,1,GDB MedChem
130770,COC(C)C(CCC(C)C)[NH2+]C(C)CC(C)C,0,GDB MedChem
389004,CC1(C)CCC2CCCC1C2O,1,GDB MedChem
78166,[NH3+]C1CCC2CC([NH2+]C3CC3)C12,0,GDB MedChem
270856,C#CCC1(C)COC2C(C)OC21,0,GDB MedChem
162063,C#Cc1ccoc1C1(C)CCCOCC(C)C1,0,GDB MedChem
178121,CC#CCC1=CCCNC(=O)C1,1,GDB MedChem
267263,COCCC(C)(C)C(=O)Cc1ncn(C)n1,1,GDB MedChem
356004,OCCCC1OCC2(C3CC3)COC1C2,0,GDB MedChem
340360,[NH3+]C1C=CC#CCC2=CC1CC2CO,0,GDB MedChem
107608,C#CC1CC2C=CC(C)(C)C(C#N)NC12,0,GDB MedChem
255795,C#CC([NH+](C)C)C1(O)C(=O)OC(C)OC1=O,0,GDB MedChem
290726,[NH3+]C1C=CC(C(=O)[O-])CC1,0,GDB MedChem
96164,[NH3+]CC#CCCCCC(O)CC1C[NH2+]C1,0,GDB MedChem
198046,CCCCC1=CC2COCCC=C1C2,0,GDB MedChem
207999,C#CC1=CC(C)CC2CC2C(C)([NH3+])C=C1,0,GDB MedChem
245329,CC1NC2(CC[NH2+]C2)C([NH3+])COCC1CCO,0,GDB MedChem
316011,CCC1CC(C#N)C1(C)CO,1,GDB MedChem
68944,COC1C=CCOC1C(N)C[NH3+],0,GDB MedChem
30489,COC(C)COC1CCC1CO,1,GDB MedChem
107076,C[NH2+]C1(C2C=CC=C2)C2CCCC21,0,GDB MedChem
5978,CC1=C(CC2(C)CC2)C[NH2+]C1,0,GDB MedChem
340362,CN1CCOCC1(C[NH3+])C[NH3+],0,GDB MedChem
53576,CC1(C)CCC1CC[NH2+]C1CC1C#N,0,GDB MedChem
23231,CCC(Cc1cccc(N)c1O)C(N)=O,1,GDB MedChem
314385,CC1OCC2C(C(=O)[O-])[NH2+]CCOC12,0,GDB MedChem
286799,CC1(C)CCC([NH3+])CC=CC1O,0,GDB MedChem
187387,CC(C)(C)C#CCn1cnc(CC2CC2)c1,1,GDB MedChem
43855,CC[NH2+]CC([NH3+])C1CCC1CC,0,GDB MedChem
13547,C#CC1=C(C)C2C(C)C=C(C)C(OC)C2C1,0,GDB MedChem
80902,C[NH2+]CC1=CC2C(=O)C(O)C2C1,0,GDB MedChem
327687,CCN1c2c(ccnc2C(C)C)CC(C)C1C,1,GDB MedChem
190951,CCCc1coc2c1C(C)CC(CC[NH2+]C)C2,0,GDB MedChem
27736,OC12C[NH2+]CC1CCOCOC2,0,GDB MedChem
100582,C#Cc1cc2cnc(NC=O)oc-2c1C,0,GDB MedChem
113372,CCc1cn(C)c(CC)c1C[NH3+],0,GDB MedChem
368703,Cc1cc(C[NH3+])n(C)c1C#N,1,GDB MedChem
185788,CC#CC1(CC)C=C(C)CCNC(=O)O1,0,GDB MedChem
131106,CC(C)COC1(C)COCCN(C)CC1C#N,1,GDB MedChem
368978,C#CC1OC(C)(C[NH3+])CC1CO,0,GDB MedChem
43491,C=C(C)C=C(C(C)=NO)C(O)C#CC,1,GDB MedChem
268876,C#CCOCCCc1nsc(CC)c1N,0,GDB MedChem
89605,C=CC(C#N)=C1CC2NC1CC2=O,0,GDB MedChem
165493,COC1(C#N)CN2CC(=O)C(OC(C)C)C21,0,GDB MedChem
285374,C#CCCn1ccc2c(OC)c(CC)ccc21,1,GDB MedChem
301743,O=C1CCC[NH2+]C(C2=CC[NH2+]C2)C2CC2N1,0,GDB MedChem
389239,CCCC1(C(C)=NO)C(C)NCC[NH2+]C1C,0,GDB MedChem
30481,CC(C)(C)C1(CC#N)CCC[NH2+]C1CNC=O,0,GDB MedChem
13397,CCC[NH+]=c1cc[nH]cc1,1,GDB MedChem
386942,C#CC1C(O)C(C)C1Cn1nccc1NC,0,GDB MedChem
13241,CCC(=O)N1CC2(C1)OC(C)OC2C#N,1,GDB MedChem
67147,CC1COC2(C(CC#N)=N[O-])CC2CC[NH2+]1,0,GDB MedChem
245356,CC1[NH2+]CC2=CCCC3COC(C=C21)C3,0,GDB MedChem
385868,CC1=CCC2C3=C(CCC3C2O)C(=O)C1,0,GDB MedChem
245038,C=CC1=CCC(C2(OC)CC2)=CC1,1,GDB MedChem
347724,CC1CC1C1(C(C)CO)CC[NH2+]C1,0,GDB MedChem
15381,CC(C)(O)CC12CCC(CC1)[NH2+]2,0,GDB MedChem
187516,CCCC12C[NH2+]C(C1=O)C(NCC(C)[NH2+]C)C2,0,GDB MedChem
210509,CC1[NH2+]C(C)C1C(O)CO,0,GDB MedChem
357997,C#CCC12CCC(O1)C(O)C(=O)C2=O,0,GDB MedChem
60278,CC1=C2C([NH3+])C(CC[NH3+])C2OCCC1,0,GDB MedChem
350597,CCc1c(C(C)(C)C)oc(CO)cc1=O,1,GDB MedChem
35834,[NH3+]C1CCC1(O)C1CC(C2=CC[NH2+]C2)C[NH2+]1,0,GDB MedChem
125440,C#CC1=C(C(=O)CC)COC1,0,GDB MedChem
376823,C#CC1(O)CC[NH2+]C1C(C#N)C=C,0,GDB MedChem
365256,CC1COC(CN2CC(=O)CC(O)C2)C1,1,GDB MedChem
178542,CC(O)c1cnc(N)nc1NC1CC1,1,GDB MedChem
209266,CC(=O)N1CC([NH3+])C1C1CC1,0,GDB MedChem
83327,C=CC=C(CC=C)C(=C)S(=O)(=O)C=O,0,GDB MedChem
92453,C=CC1C2C(C)C(=C)C[NH2+]C12C=C,0,GDB MedChem
358054,C=CC(C[NH3+])=C(CC#N)C1(C)CC1,0,GDB MedChem
359302,COCC#CC1CC(C)C1,1,GDB MedChem
236077,CC12CC1C=C1CC(=O)CCC12,0,GDB MedChem
45510,CC(C1CCCC1)C1CC2(C)OCC1C2=O,0,GDB MedChem
345120,C=C(C[NH3+])C1=CCC=CC=CC#C1,0,GDB MedChem
322641,CC1OC2CC([NH3+])C2=C1C[NH3+],0,GDB MedChem
145591,CNC(=[NH2+])NCC1NCC2CC2C1[NH3+],0,GDB MedChem
183546,O=C1NCCCC1C#CCO,1,GDB MedChem
42320,O=C1CC=CCC2=CCC3(CC3)C2=CCC1,0,GDB MedChem
88934,CCC1=CC=C(C)CC=CCC1=O,0,GDB MedChem
292091,CCOCc1cc(CNCC[NH3+])cs1,1,GDB MedChem
330656,CCCC1CC(CC)(C(O)CC)C1C,0,GDB MedChem
364453,C#CC(C)CC1COC1,1,GDB MedChem
86934,Cc1c[nH]cc1Cc1ccc(COCCO)o1,1,GDB MedChem
171170,COc1cocc1-c1c([O-])c(C)cn1C=O,0,GDB MedChem
82796,CC1C=C(CNC(=O)CO)C[NH2+]1,0,GDB MedChem
10337,C#CC1[NH2+]CCCC1C(C)CO,0,GDB MedChem
326548,CC1CC(C#N)=C(c2csnn2)C(C)C1,0,GDB MedChem
315661,CCN1CC(=O)C1C(C)=O,1,GDB MedChem
245069,C=Cc1c(CCC[NH3+])[nH]ccc1=O,0,GDB MedChem
78049,CCC(C)(C)CC(C)(C)c1ccc[nH]1,0,GDB MedChem
53551,N#CCC1(C(O)CO)COC2CC21,0,GDB MedChem
78091,CCC(=O)CC(C)(C)CC(=O)C[NH+]=C(N)N,0,GDB MedChem
212469,CC1=CCC2CC(=C(C#N)C2=O)C=C1,0,GDB MedChem
131091,C=CS(=O)(=O)C1=NCC(C)(C(=C)C)N1,0,GDB MedChem
14008,O=C1CC(O)C2C(O)C=CC[NH2+]C12,0,GDB MedChem
251591,C1#CCc2c(sc3ccsc23)CCCOC1,1,GDB MedChem
607,CCC#CC1(CC#N)C=CC(O)C1=O,0,GDB MedChem
10289,C#CC1(CC)C=CC(=O)CC(C)CC(C)C1,0,GDB MedChem
269903,NC12C([NH3+])CC1C2C#CC[NH3+],0,GDB MedChem
40623,C#CC1(O)C2CC(CC)=C(C3CC3)C21,0,GDB MedChem
343048,CCCOc1cc(C)c2oc(C)cc2c1,1,GDB MedChem
267290,CCC12C=CC([NH2+]1)C(O)CC(=O)OC2,0,GDB MedChem
107743,CCC1=CC=C(C)CC2(CC#C1)CC2,0,GDB MedChem
314332,C#CC1(C(C)(C)[NH3+])CC(C)=CCC(=O)N1,0,GDB MedChem
51108,Cc1cc2c([nH]1)C[NH2+]CCC2(C(C)C)C(C)C,0,GDB MedChem
68056,OC1(C#Cc2ncc[nH]2)C[NH2+]C1,0,GDB MedChem
154584,C=C1C[NH+]2C(C)C=CCC2C1=CC,0,GDB MedChem
306963,[NH3+]C1CC2=C3C(CC[NH2+]CC31)CNC2=O,0,GDB MedChem
62269,C1#CCc2ccc(o2)CCCC1,0,GDB MedChem
297984,C#CC12OC(C)C1NC2CC,0,GDB MedChem
215157,[NH3+]C(CO)C(CCO)CC1CCC1CO,0,GDB MedChem
326005,OCCCc1cnc(OC2CC(=NO)C2)o1,0,GDB MedChem
53568,CC[NH+]1CCC(O)(C2CCCCCC2)CC1,0,GDB MedChem
395241,COC1CC(C(=O)CO)C2(CCO2)C1=O,0,GDB MedChem
248530,CNC1(CC#N)C2C[NH+]=C(N)NC(C)C21,0,GDB MedChem
165504,CCC#CC[NH+](CC1(C)C[NH2+]C1)C(C)C,0,GDB MedChem
17200,C[NH2+]CCC1CCC2(CC2)C1=O,0,GDB MedChem
13334,O=C1CCC=CC2(CCCCC1)CCC2,0,GDB MedChem
311233,CCc1c(C)oc(C[NH2+]C)c1C(C)(C[NH3+])CO,0,GDB MedChem
330834,OCC#CCC1(CO)COC1,1,GDB MedChem
333218,CCC(CC[NH+](CC)C1CCCC1)C(N)C#N,0,GDB MedChem
390357,CC1OC(C[NH3+])C2(CCC2)[NH2+]C2CC21,0,GDB MedChem
346447,C1=CC2CC3CCC(=C23)CC1,0,GDB MedChem
56975,O=C([O-])C1=CC=Cn2cccc2C=C1,0,GDB MedChem
253966,C#CCC1([NH3+])C(O)C1CC[NH3+],0,GDB MedChem
309922,COCC(C)(C[NH3+])C(C(N)=O)N1CCC1,0,GDB MedChem
384006,C#CC[NH+]1CCC2=C(C1)C1CCN1C2=O,0,GDB MedChem
288812,CN(C=O)C1CC2(O)CC12,1,GDB MedChem
109006,CC1=C2C(C[NH3+])C3CCCC23C[NH2+]C1,0,GDB MedChem
381010,N#CCCC1OCC(CC([NH3+])C[NH3+])O1,0,GDB MedChem
83162,CCC[NH+]1CC2C([NH3+])C2C1CC,0,GDB MedChem
240878,N#CC(O)(CC1COC1)C1(O)CC1,1,GDB MedChem
215140,CC1C(CC#N)CC(CO)C1([NH3+])CN,0,GDB MedChem
52564,C#Cc1coc2c1CC1CC(C)(CCC1C)C2,0,GDB MedChem
29302,CC[NH2+]C1C(C(O)C(N)=O)CC1(C)N,0,GDB MedChem
84728,CC#CCOC(=O)COC1C(O)C1CO,0,GDB MedChem
115859,C#CC1=CC2COCC(C#N)C(C)N2CC1,0,GDB MedChem
76237,[NH3+]Cc1cnoc1CCCC1CC[NH2+]1,0,GDB MedChem
391248,C#CCNCc1nc(C(C)O)n(C)n1,1,GDB MedChem
23188,C#CCc1cc2c(nc1OCCC)C(C)OC2,0,GDB MedChem
131120,CCc1[nH]c(N)c(CC)c1C(C)(C)C(C)(C)[NH3+],0,GDB MedChem
257000,N#CC12CC(=O)C(OC(CO)C1)C2O,0,GDB MedChem
142695,C=CCC1CC(C)(OCC#N)C1[NH3+],0,GDB MedChem
136388,CC1C[NH+]2CCC12C1C[NH2+]C1,0,GDB MedChem
257332,C[NH2+]CC1(C(C)[NH3+])CC1C,0,GDB MedChem
78086,C#CC1=CCOCCC(C)=CCC(=O)C1,0,GDB MedChem
44000,[NH3+]CCC(O)(CO)C1CC1O,0,GDB MedChem
128146,CC1CC(O)C1(O)C(N)=O,1,GDB MedChem
104866,CCCOC(C)Cc1ccn(CC(C)=NO)n1,1,GDB MedChem
155902,CC#CC1CC2=C(COC2)C1C1(C)CC1C,0,GDB MedChem
31197,CC([NH3+])CC1C(O)CC1(C)O,0,GDB MedChem
191643,[NH3+]Cc1[nH]cc(CO)c1CC1CCC1,0,GDB MedChem
392919,CC1=Cc2nc(C)ncc2CC12CC2,1,GDB MedChem
192642,C#CCOC1C=CC2(C)C(C)[NH2+]CC12,0,GDB MedChem
143950,COC1CN(C2CC2[NH3+])C(=O)C1C,0,GDB MedChem
361039,CC1=CC2C=CC3CC(=O)C2C13,0,GDB MedChem
143565,C#Cc1c(NCC)oc(CC)c1C1CCC1,1,GDB MedChem
123639,CC(C#CC(C)(C)C)C1COC(=O)C1[NH3+],0,GDB MedChem
56182,CC(=O)CCOC1(CCO)CC1,1,GDB MedChem
44152,CC1=CCC(C)C(C)CC(O)C(C)C1,1,GDB MedChem
59770,CCC(C)(C[NH2+]C)C1CCCC1(C)CC(C)=O,0,GDB MedChem
177717,CC1=CCCCCC(C)S1(=O)=O,0,GDB MedChem
172204,C#CC(C)c1cc2c(=NO)cc(CC)c=2c1=[NH2+],0,GDB MedChem
7632,CCc1ncc(O)c(-c2n[n-]ccc2=O)n1,0,GDB MedChem
228622,CCC#CCC(C1C(C)C1C)[NH+](C)C,0,GDB MedChem
239573,CCOCC=CCNC(=O)C(C)O,1,GDB MedChem
211571,C#CCCN1C=CC(C[NH3+])NC1=[NH+]C,0,GDB MedChem
128401,C[NH+]=C(NC=CC[NH3+])n1cccn1,0,GDB MedChem
37891,COC1CC2C=C([c-]3ccc(=O)[nH]3)C1[NH2+]2,0,GDB MedChem
57052,C#CC(O)CC(C)C([NH3+])CCC(O)C[NH+](C)C,0,GDB MedChem
143940,C1=C(CC2CCC[NH2+]C2)COC1,0,GDB MedChem
183007,C#CCC1(C[NH3+])CC2CCC(O1)C2O,0,GDB MedChem
96657,CCOC1(C)CC=C2C[NH2+]C(C)CC=C21,0,GDB MedChem
127305,CC1=C2CC=CCCC1(c1ncsn1)CC2,0,GDB MedChem
241380,CC#CC1C2CC2N2C=CS(=O)(=O)COCC12,0,GDB MedChem
241330,CN(C(N)=O)C1=CC(C)(O)CCCC=C1,1,GDB MedChem
354917,Cn1cc(C[NH2+]CCOCC[NH3+])n(C=O)c1=O,0,GDB MedChem
248974,[NH3+]CCC1OCC2CCN2CC([NH3+])C1O,0,GDB MedChem
145534,C=C1CCOC(C)CC(=C)C(C)C1,0,GDB MedChem
131169,CC1C([NH3+])CC2CCC1CC(C[NH3+])=C2C[NH3+],0,GDB MedChem
329194,C#Cc1c(C)c(N)c2c(C(C)C)scc2c1C,0,GDB MedChem
45214,Cc1[nH+]cc(-n2ccnc2)n1C,0,GDB MedChem
123640,CCC(C)CC12COC(O1)C(C)C2,0,GDB MedChem
65541,C#CC1CC[NH2+]CC(CC)=CC1[NH3+],0,GDB MedChem
201194,CCCC(=O)N1CCNC(=O)C1,1,GDB MedChem
123764,C#CC1CN(CC)C(=O)CC1(CC)C(N)C#N,0,GDB MedChem
41002,C#CC1(O)CCC(CCC(C)O)CC1C,1,GDB MedChem
329926,CNC1(CC[NH2+]C)C(=NO)CC1C#N,0,GDB MedChem
132641,CC1C(C)C12C=CC([NH3+])C2C(C)(C)[NH3+],0,GDB MedChem
316868,CC1=CC(C)(C(=O)[O-])OC1,0,GDB MedChem
381027,CC1=C(C)C(C)(CS(C)(=O)=O)C(=O)C1O,0,GDB MedChem
369263,CCOC(=O)C1=C(C)C=C(C)C=CC1,0,GDB MedChem
185766,CC(C#N)CNC1C=CC2([NH3+])CC=CC12,0,GDB MedChem
176369,C[NH+]1CCC2C3=CCC=C3CCC21,0,GDB MedChem
275861,Cc1oc(C[NH3+])cc1C(C)[NH3+],0,GDB MedChem
394627,C#CC12CCCCCC(C=CC(=O)C1)C2,0,GDB MedChem
283036,OCCCOCC1C=CC(C=NO)COC1,0,GDB MedChem
217843,CC1=CC=CCC([NH3+])C(=C2CC[NH2+]C2)C1O,0,GDB MedChem
113845,COCCCC(=O)CCCCO,1,GDB MedChem
107133,CCCC1([NH2+]C)CC(=O)C(=O)C(C)=C(C)C1,0,GDB MedChem
38629,Cc1c[nH]c2c(Cl)c(C)cc(=[NH2+])c-2c1,0,GDB MedChem
359702,Cc1cc2c(o1)C[NH2+]CCC2CCCC(C)C,0,GDB MedChem
99190,CC(C)C1CC=CC2CC2[NH2+]C1,0,GDB MedChem
361264,CCC(=O)n1c(N)cnc1CC#N,1,GDB MedChem
241332,C#CCCC1OC2CC2(C)C1CCC,0,GDB MedChem
82486,C#CC(O)CC([NH3+])C(c1cnnn1C)C(C)[NH3+],0,GDB MedChem
122303,CCNC(=O)Cc1oc([O-])nc1C,0,GDB MedChem
30716,COc1cc(CO)c2[nH]cc(O)c(CC[NH3+])c1-2,0,GDB MedChem
52635,C#CCC1CC(CC)(OC(C)C)C1,1,GDB MedChem
124597,C#CCc1c(CC2CCO2)ncn1C,0,GDB MedChem
268222,[NH3+]C1CCCOC2C=C1CC2,0,GDB MedChem
153496,CNc1cc2c(c(O)n1)C=CCNC2=[NH2+],0,GDB MedChem
134286,C#CCC1=CC=CCC(=C)C1[NH2+]C,0,GDB MedChem
133584,C#CC1CC2(C)CCOCCC(OC)C[NH+]1C2,0,GDB MedChem
366664,CCC12CC=CC(COC)C(C=CC1)O2,0,GDB MedChem
83336,CC1CC(CC[NH3+])[NH2+]CCOC(=O)CN1,0,GDB MedChem
122294,[NH3+]CC1C=CC2OC1CCC2[NH3+],0,GDB MedChem
156456,CCc1ccc(C2CN(CC[NH3+])C2)nc1C,0,GDB MedChem
331338,C#CC1=CCC2C(OCC)CC12,1,GDB MedChem
229598,CC1CCN(C)C(C(N)(C#N)C(=O)[O-])CC1O,0,GDB MedChem
216752,CC(C)Oc1c(N)ncc2oncc12,1,GDB MedChem
339320,CCC(C#N)C([NH3+])CO,1,GDB MedChem
115819,CCOC1C2C([NH3+])C2C1(C)C,0,GDB MedChem
52391,C#Cc1oc(C(C)C)nc1C,1,GDB MedChem
252371,Cc1scc2c1C=CCC=C2,1,GDB MedChem
167019,CC1=CCCC2C3CCC2C1[NH2+]3,0,GDB MedChem
335355,O=C1C=C(CO)CC=CCCN1,1,GDB MedChem
306713,Cc1cc2csc(C#N)c(-c3cc[nH]n3)c-2c1,0,GDB MedChem
257888,C[NH+](C)C1CCC(CC2CC2)=C2C=CCC21,0,GDB MedChem
290087,CC1=C(CO)C(=C2CC(O)C3CC3C2)CC1,0,GDB MedChem
398258,C#CCN(C)c1ccc2c[nH+][nH]cc1-2,0,GDB MedChem
373004,C#Cc1c(COCC(C)O)cc(Cl)c(N)c1C,1,GDB MedChem
35390,COCC1(C)CCC([NH3+])C1,1,GDB MedChem
165846,C=C1CC(CO)C(=C)CNCC1=O,0,GDB MedChem
103973,C[NH2+]C1C(C(C)C)COC12CC(C)C2,0,GDB MedChem
81993,Cc1cc(C[NH+](C)C)c2sncc2c1,0,GDB MedChem
293021,CCC1C(N)C[NH2+]C1C(O)CO,0,GDB MedChem
46973,CC12OCC(CC(=O)C1O)O2,1,GDB MedChem
45246,CC1=C(CC(=O)[O-])C2(C)CC2C1,0,GDB MedChem
19108,C#CCC1CC(C)C(C)(CC)C1,0,GDB MedChem
116194,CC1=CC(CO)=CCCC1(C)C,0,GDB MedChem
311280,CC(C)Nc1cocc1C1NCC([NH3+])CC1C,0,GDB MedChem
137845,CCC(C)(O)C(C)CCC#N,1,GDB MedChem
6230,CCC1C(C(C)=O)C[NH+]1C,0,GDB MedChem
149221,CC([NH3+])C#CC1CCCC(C)C1,0,GDB MedChem
292615,CC1[NH2+]C2CC2CC2=C1COC2C,0,GDB MedChem
141074,CCCCC1CCC(C(C)(C#N)CC)C(C)C1,0,GDB MedChem
356976,CC1OCC12CC(O)CC[NH2+]2,0,GDB MedChem
14015,C1=CC2C=CC3=CC[NH2+]CCC(=C32)CC1,0,GDB MedChem
192416,CC#CC1C2C=C(C)CC2[NH+]1C,0,GDB MedChem
122329,CC1C2C=CCC(=O)CC12C,0,GDB MedChem
52777,C#Cc1cc(-c2cc(C)ccn2)nc(=NC)s1,1,GDB MedChem
83655,c1[nH]nnc1CC[NH2+]C1CCC1,0,GDB MedChem
295349,CC1C=CC(CO)OC1C1C=CCC1,0,GDB MedChem
256934,CC(CCC(C)C(C)C)c1cnc(N)cc1O,1,GDB MedChem
47604,Cc1coc(=O)cc1C1(C)CCC2COC1O2,0,GDB MedChem
290681,Cc1sc(=O)c(C)c2c1CC(C)(C)OC(=O)C2,0,GDB MedChem
291256,CCC1=CC2CC1([NH3+])C=CCO2,0,GDB MedChem
256967,C#CC(C[NH2+]C)C[NH2+]CC1(CC)CC(C)C1,0,GDB MedChem
362554,C#CC1(C)C=CC(O)C([NH3+])C1,0,GDB MedChem
350609,CC1=CC2COCC(C)(C)C(C)=C2C1,0,GDB MedChem
278636,C[NH2+]CC1C2OCCCC([NH3+])C12,0,GDB MedChem
335439,CNc1cc(CO)c(C[NH3+])cn1,1,GDB MedChem
223627,N#CCC#CC1NCCS(=O)(=O)C1N1CCC1,0,GDB MedChem
117258,CCC1(C)NC(N)=[NH+]CC(C#N)C1O,0,GDB MedChem
276586,N#CC12CC1C=CC=CCO2,1,GDB MedChem
14241,N#Cc1ccc2c(c1CO)NCC(O)C2,1,GDB MedChem
177669,CC1C2C#CC(c3conn3)CCC=CC12,0,GDB MedChem
293058,C#CC(CC[NH2+]CC)Cc1cc(C)c(CC)s1,0,GDB MedChem
245671,CC(O)C1C(C)C([NH3+])(CO)C1C,0,GDB MedChem
14638,CCC1=CC(=O)OCC2CCCC2CC1,0,GDB MedChem
40116,CC#CCC1C=C(C[NH3+])CC1=C1C=CCC1,0,GDB MedChem
68992,CCC(CC)[NH2+]C1CC=C2CC=CC(=O)C21,0,GDB MedChem
294831,COCCCC1(CO)OC2CC2C1[NH3+],0,GDB MedChem
252396,C#CC1CC(CC=CC=C)C1(C)[NH3+],0,GDB MedChem
373558,N=c1oc2cc(CC[NH3+])ccc2s1,0,GDB MedChem
33378,C#CC1=C(C)N(C(C)=O)CC(=O)N1,0,GDB MedChem
159099,C#CC1CN(Cc2cccn2C)CC[NH2+]C1C,0,GDB MedChem
155905,C[NH2+]CCCCC[NH2+]C(C)(C)C1CCC1,0,GDB MedChem
224163,Cc1cc(C)n(C(C)C#N)n1,1,GDB MedChem
184584,N#CC1OC2COC(C[NH3+])CC12,0,GDB MedChem
220573,CC1C(CC[NH3+])CC1(C[NH3+])CO,0,GDB MedChem
353763,CC(CO)CCCC(=O)n1c(CO)noc1=O,0,GDB MedChem
217640,CCCCC(C)Cc1cc(F)c2[nH]ncc2c1,1,GDB MedChem
176318,C=CCC(C)(C(=C)C=C)C(=O)CC,1,GDB MedChem
116689,CC(=O)N1C=C(C2([NH3+])CC2)COCC1,0,GDB MedChem
211407,COC(CC(=O)CO)C(C)=O,1,GDB MedChem
185768,CC1C=CC2(CO)C1=CC1=CC=CC=CC12,0,GDB MedChem
183935,CC1([NH2+]C(CN)C[NH3+])CC1,0,GDB MedChem
52204,ON=C1CC2C=CC=C1C#CCC1(CC1)[NH2+]C2,0,GDB MedChem
248535,C#CC1C=C2C(=C(C)CCC2[NH2+]C)CCC1,0,GDB MedChem
72815,[NH3+]C1(C(=O)NCc2ccc[nH]2)CC1,1,GDB MedChem
150883,N#CC(C[NH3+])C1C([NH3+])C=CN1C=O,0,GDB MedChem
56365,CC(C)CCCc1cc(CCC(C)C)ccn1,1,GDB MedChem
314279,CC1=C(CCC2CC2)C#CCCCCC1,0,GDB MedChem
78067,CC(=O)C#CC1CC[NH2+]1,1,GDB MedChem
152702,C#CCCOC(c1c(O)cn(C)c1C)C(C)[NH3+],0,GDB MedChem
202153,O=c1c(C#CCO)csc2occc12,0,GDB MedChem
281746,N=c1[nH]cc(COC2CC2C[NH3+])c(=O)[nH]1,0,GDB MedChem
237823,COC1CC2CCC(C(C)C)C21,0,GDB MedChem
393431,CC(CCO)C1C=CCCCC1,1,GDB MedChem
279550,CCC(C)(C)C1CC[NH2+]C2CCC1CCC2C,0,GDB MedChem
121618,C=C(CO)c1cc(NC)[nH]c1OC,0,GDB MedChem
396851,CCCC1C([NH2+]C)C1C(C)C,0,GDB MedChem
357264,C=CC#Cc1connc1=NC=C,0,GDB MedChem
32973,O=C1C=CC2=CCC3C(=O)CCCC3C2C1,0,GDB MedChem
222301,C#CC(=CC)N(C=C)C(=O)CC=C,0,GDB MedChem
85786,C[NH2+]C1C2C=C(C)C(CO)C1CO2,0,GDB MedChem
31535,CC1C=C2C(C)OC(=O)N2C(C)C[NH2+]1,0,GDB MedChem
130532,CCC1(C)CN(C)C(CO)C(C)[NH2+]1,0,GDB MedChem
187262,C#CC(O)CC1=CC2=C3C1=CC=C3C(C)=C2N,0,GDB MedChem
192645,c1cc(-c2cocn2)c[nH]1,1,GDB MedChem
131085,C[NH2+]C1CC1(N)C(C)C(C)CC1CC1,0,GDB MedChem
236915,CCCC([NH2+]C(C)C)C(C)C,0,GDB MedChem
331297,CCCCc1c(C(C)=O)c(C)c(NC)n1CC,1,GDB MedChem
217619,CC(O)CCN(c1ccoc1)C1(C)CC1,1,GDB MedChem
147738,C[NH2+]C1CC(C)N(C)C(Cc2csc(C)n2)C1,0,GDB MedChem
174149,C#CCC12C[NH2+]C(C)C(CC(O)C1)O2,0,GDB MedChem
147702,CC1=C(C2CC2)C(=O)NC=CCC1,0,GDB MedChem
30731,Cc1cc2c([nH]1)C=CC(C1CCCO1)[NH2+]C2,0,GDB MedChem
187903,CCC1=CCCC2[NH2+]CC(C)C2(OC)C1C,0,GDB MedChem
239804,C=C1CC(=CC2(O)CC2)C=C1CO,0,GDB MedChem
373054,CC1=CC2N(C1)C(C#N)C=C(C[NH3+])C21CC1,0,GDB MedChem
355218,CCC1CC=C(C)C2C1C2(C)[NH3+],0,GDB MedChem
118786,N#CC1CC1c1ccco1,1,GDB MedChem
170751,CCCC1CCC(C)(Oc2cc(=O)cc[nH]2)C1,0,GDB MedChem
230911,CCN1C(=O)CC12CC(=O)CNC(C)C2=O,0,GDB MedChem
144175,CC(C)(CCO)C1=CC([NH3+])COCC(O)C1,0,GDB MedChem
69001,CC=CN(C=O)C1C2NC(=O)OC21,0,GDB MedChem
366962,CCCCOC1CN(CC[NH3+])C1,1,GDB MedChem
158483,C#CC1(C(C)[NH3+])CCCN1C,0,GDB MedChem
80878,CCCOC1C=CC2(CC2)C1,1,GDB MedChem
291268,[NH3+]C(COCC1CC1)c1nccsc1=O,0,GDB MedChem
224436,C#CCn1c(C[NH3+])ccc1C[NH3+],0,GDB MedChem
142138,[NH3+]CC1OC(=O)C1C(CO)C1CCC1,0,GDB MedChem
271899,CC(O)CC1C=CC2(CC[NH2+]2)C1,0,GDB MedChem
138683,C[NH2+]CCCC(C)Oc1cc(C)n(C(C)C)n1,0,GDB MedChem
187809,CCC1(O)C=C(C)NC(NC=O)=NC1,0,GDB MedChem
360102,CN1CCC(=O)C=C(CO)C1,1,GDB MedChem
211372,CCC1=C(C2CC2)C(C[NH3+])CC12CC=CC2,0,GDB MedChem
30719,CC1=CCC=CC(=NO)C=C(C)CC1,0,GDB MedChem
356612,C#Cc1cc(-c2cnc(O)c(C)n2)sn1,1,GDB MedChem
69259,CCCC1(CC)OCCC(CC)OC(C)C1O,1,GDB MedChem
130498,CC1(C2=CC#CC=CC=CCC2)CC1,0,GDB MedChem
187265,C#CCC1=CC2CCC(C2)CC2OCC12,0,GDB MedChem
9127,CCC1(C)CC=C(C(C)C)C(=O)O1,1,GDB MedChem
275239,CC1(C)[NH2+]CC=CC1NC(=O)CO,0,GDB MedChem
275277,CC(=O)C1=CNC(=O)CNC1,0,GDB MedChem
82787,C#CCC1C(O)C(C)(C(=O)C#N)C1O,0,GDB MedChem
315394,CCCC(CC1=CS(=O)(=O)CCCN1)=NO,0,GDB MedChem
218658,C=C(C=c1ccc(=C)cc1)C(=O)[O-],0,GDB MedChem
358979,CC1CC(Cc2cc3c[nH][nH+]cc-3c2)O1,0,GDB MedChem
69299,CCC(C)C12C=CCOC(O1)C(CO)=CC2,0,GDB MedChem
139157,CC(=NO)C1=CCC[NH2+]C(CC2CC2)CC1,0,GDB MedChem
280139,C#CC(CO)C12C[NH2+]CC1C2,0,GDB MedChem
132796,C#CCN(C)c1nc[nH]c1CC,1,GDB MedChem
35410,CCC12CC=CCNC1C(=O)O2,0,GDB MedChem
50204,C#CC(=O)C1(OC)C=CCC1,0,GDB MedChem
323675,C#CC1(C)Cc2ccc3c(c2N1)CCC(C)N3,0,GDB MedChem
81344,C#CC(CCCC)CCc1cn(C)c(C#N)n1,1,GDB MedChem
123755,CC1C#CC2=CC(=CC(C)([NH3+])CC1C)CC2,0,GDB MedChem
5663,CC1CCCC1C([NH3+])(CN)C(N)CC[NH3+],0,GDB MedChem
277273,NC(=[NH2+])N1CC2C=CC([NH3+])CC21,0,GDB MedChem
289570,CCC[NH2+]Cc1cc(COCC(C)(C)C)c[nH]1,0,GDB MedChem
63171,C#CC1C=C2C(C)=CCC3CCC([NH2+]1)C23,0,GDB MedChem
248964,C#CC[NH2+]CCN1CC=CC=CCC1,0,GDB MedChem
383993,C#CCC(OC)c1cnn(C=O)c1,1,GDB MedChem
59749,C#CC(O)C1([NH3+])CC=C2CCC(C)=C21,0,GDB MedChem
377466,CC12CC=CCC1=CC(C(N)C[NH3+])[NH2+]2,0,GDB MedChem
79830,CC1CC2Cc3cc(N)ccc3C2CC1(C)C,1,GDB MedChem
273735,C#CCCOC(C)CC1N(C)CS1(=O)=O,0,GDB MedChem
331107,C=C1C(C)CC2CC2CC1CCO,0,GDB MedChem
187116,CCCC1([NH+]2CC=CCC2)CC=CC1,0,GDB MedChem
105616,CC1=CC2OC(CC23CC3)C1C,0,GDB MedChem
4460,CC=C1CCc2ccc(Cl)c(N)c21,1,GDB MedChem
381339,C#CC[NH2+]CC(C)C1C(C)CCCCC1C[NH3+],0,GDB MedChem
375220,C[NH2+]CC(O)C1(C#CCC(N)=O)CC1,0,GDB MedChem
46495,[NH3+]CC(C[NH3+])CCCC1=CCC2=CCCC21,0,GDB MedChem
56437,C=CC1C(O)COC1C(CC)OC,1,GDB MedChem
322640,CC1CC=C2C(O)CC(C[NH3+])C21O,0,GDB MedChem
111816,C#CCCC1(O)C2CC(C)C21,1,GDB MedChem
327356,C[NH2+]CC=C(C=CC#N)C1CCC1,0,GDB MedChem
219299,CC12CCCC(=CC([NH3+])CCC1)CC2O,0,GDB MedChem
240530,C#CCCc1[nH]cc2c1C(C)(C)CC(CC)C2,0,GDB MedChem
24195,CCC1=CC=C(C)C(=C2C[NH2+]C2)CCOC1,0,GDB MedChem
152899,C1=CC2=CCC=C2C2(C=CC1)CC2,0,GDB MedChem
204126,C1=CC2(CNCCC[NH2+]CC1)C[NH2+]C2,0,GDB MedChem
197369,C#CCCC(C)CCc1ccc(CC)c(O)n1,1,GDB MedChem
121003,O=CNCC1CC(=O)CNCC1=O,1,GDB MedChem
371022,CCCC#CC(C)(CC)C1([NH3+])CC(C#N)C1,0,GDB MedChem
86794,CC1C=CC=C2COCC(O)CC2CC1C,0,GDB MedChem
335300,CC1CC(C)C(C)(C)C1C1C=CN(C=O)C1,0,GDB MedChem
281713,CC1OCC[NH+]2C1CC1OCC12,0,GDB MedChem
204744,COCC1CC=C(C)C1NC=O,1,GDB MedChem
72796,NC1CNC(=O)NC2=CC(O)C(C2)C1[NH3+],0,GDB MedChem
257327,CC(C)C1=CC(CCC[NH3+])CC12CCC2,0,GDB MedChem
38650,CN1CCC=CCOC1=O,1,GDB MedChem
121435,Cc1c(C2=CCOC2)c[nH]c1C[NH3+],0,GDB MedChem
54883,N#CC1CCCC1(N)C[NH3+],0,GDB MedChem
225801,CCC(O)C([NH2+]C)C(C)(C)C(C)C(C)CC#N,0,GDB MedChem
92445,C#CC(O)c1cc(C)coc1=N,0,GDB MedChem
86408,CC1C2C(=O)CC12N(C)C=O,0,GDB MedChem
210489,C#CC1(CCCC[NH3+])C(C)C1C,0,GDB MedChem
55836,[NH2+]=C1NCCN1CCC1CC1[NH3+],0,GDB MedChem
323583,O=C1NCCC2[NH2+]C(CO)C(O)C12,0,GDB MedChem
367428,CC([NH3+])C1COC(CO)C1,0,GDB MedChem
349034,C#CC(C)(C)C(C)CCCc1ncc(C#N)o1,0,GDB MedChem
224185,CC=C(C)C[NH2+]C1(C)C(C)C1C#N,0,GDB MedChem
142654,CCC1CC[NH2+]C2(C)CC([NH3+])C=CC2O1,0,GDB MedChem
205455,CC([NH3+])C(CC[NH3+])C1CC1,0,GDB MedChem
256581,C=C1C2CC(C1[NH3+])C(C(=O)NC)[NH2+]2,0,GDB MedChem
232150,CCC1CC=CC2C(OC)CC12,0,GDB MedChem
251575,CC=C(CO)C(=O)NC(C#N)CO,1,GDB MedChem
251616,O=C([O-])C1=CCC2=CCCCCC2C1,1,GDB MedChem
369915,O=C1CCC=Cc2ncccc21,1,GDB MedChem
309738,OC1CC2CCC2=CCOC12CC2,1,GDB MedChem
282896,COC1(C)CC(O)C1CC(=O)[O-],1,GDB MedChem
278374,C#CC(CC)(C(O)CC)C1CC[NH+](C(C)C)C1,0,GDB MedChem
182812,CC(O)(C#N)C1=CC(O)C=CC(O)C1=O,0,GDB MedChem
369670,CCOC(=O)C=C(C)C(C#N)CO,1,GDB MedChem
81832,CNC1C([NH3+])C(C)C12COC(=O)C2,0,GDB MedChem
389294,CC([NH3+])Cc1occc1CO,0,GDB MedChem
5653,CCCC([NH3+])C1CCC(CC[NH3+])C(OCC)C1,0,GDB MedChem
347708,CCC(=O)CC1C(O)C(C#N)C1O,0,GDB MedChem
81337,C#CCC(C)C1C(C)[NH+](CC)CC1(N)C(C)C,0,GDB MedChem
384650,COC1C(=O)OC12C(=O)C=CC2O,0,GDB MedChem
315969,CC1CC2(CCCC3CC[NH+]32)C1,0,GDB MedChem
383513,CCC(C)C1CC(=NO)C1(C)C[NH+](C)CCO,0,GDB MedChem
117056,CC#CC1C(C)CC(NC=O)C1OC,0,GDB MedChem
89978,C#CC12C=CC(CC[NH3+])=CCC(=C1)CO2,0,GDB MedChem
73951,CCc1ccn2cc(C)c(C(C)=O)c2c1NC,1,GDB MedChem
115670,O=CN(C=O)C1=CC2CC2[NH2+]C2CC12,0,GDB MedChem
373191,CC1OC(=O)C1CC1(O)CC1O,0,GDB MedChem
5638,[NH3+]C1CCC2(CNC2=O)OC1,0,GDB MedChem
137825,CCC(C)([NH3+])C#CC(CCC(C)C)C(N)=O,0,GDB MedChem
341450,C#CCC1CCC(O)C=C(C[NH3+])C1C,0,GDB MedChem
233731,CCC1CC1CCC1C[NH2+]C1,0,GDB MedChem
373001,CC(=NO)C1=CC=CC=CC(C)=C1C,0,GDB MedChem
250700,CC(C=NO)C(C)C[NH+]1CCCCCCC1,0,GDB MedChem
273577,CCC#CC(=O)C1OCC1C(C)O,0,GDB MedChem
121549,CCC1CCCNC(N)=[NH+]1,0,GDB MedChem
167025,C#CC1CC(C)CC2=C1CC1CC21O,0,GDB MedChem
153865,NC1=[NH+]CC2C(=CC[NH2+]C2CC2CC2)CN1,0,GDB MedChem
82513,OC1CCCC(O)C1,1,GDB MedChem
122766,CS(=O)(=O)CCC1CCC1=O,1,GDB MedChem
357263,COCC1Cc2c(C)cc(O)c(OC)c2C[NH2+]1,0,GDB MedChem
380406,[NH3+]CC12COC(CCCO1)C2,0,GDB MedChem
90814,CCC1CC(CC(C)(C#N)OC)=CC[NH2+]1,0,GDB MedChem
5998,C#CC[NH2+]CC12CC=CC1CCNC2=O,0,GDB MedChem
388095,CCC1CCCC2(C)CCOC(C1)CC2CC,0,GDB MedChem
94037,[NH3+]C1COC2CC1CNC2=O,0,GDB MedChem
358327,O=C1CC[NH2+]CC(Oc2ccc[nH]2)C12CC2,0,GDB MedChem
335376,CCOC(=O)CCCC(C)(C)CO,1,GDB MedChem
27850,C#CC([NH+]=C(N)NC)C1(O)CC1,0,GDB MedChem
125311,O=S1(=O)CCC2=C(C[NH2+]C2)C1,0,GDB MedChem
242241,CCCc1cc(C)[nH]c1CC1CCCC1C[NH3+],0,GDB MedChem
272738,C[NH+](C)C1C=CCC=C(CO)CC=C1,0,GDB MedChem
251104,CN1CC([NH3+])C2(O)CC1CNC2C[NH3+],0,GDB MedChem
175104,CC1C=C(C2CC2)C2CC(O)C12,0,GDB MedChem
116140,CCCC(C)(C)c1c(N)ccn1C(C)=O,0,GDB MedChem
5129,Cc1cc(CO)c2c(c1)OCCCOC2(C)C,1,GDB MedChem
171271,CCC1[NH+](C)CC12CC=C(C(C)C)CC2,0,GDB MedChem
356638,C1=CC2(C=CC3CC=CC3=CC2)OC1,1,GDB MedChem
220566,OCCOc1cc[nH]c1C1CC1,1,GDB MedChem
62297,CC(=O)C1(C2CC2)C=C(C)C2CC21,0,GDB MedChem
146194,CC1CC2=CCC(CNC=O)C2(C(=O)[O-])C1,0,GDB MedChem
133914,C#CC1CC2(C)c3c(cnc(C)c31)CC2CC,0,GDB MedChem
175616,O=C1C#CCC2=CCC3OC(C=CC1)C23,0,GDB MedChem
181925,C=CC1CC1(NC(N)=[NH2+])C([NH3+])CO,0,GDB MedChem
297995,C#CC1OC2C(C(=C)C=C)C2C1=C,0,GDB MedChem
5647,CC(CO)OC(C[NH3+])C(C)O,0,GDB MedChem
182784,[NH3+]CCc1cnc2c(c1C1CC1)CCC=C2,0,GDB MedChem
109628,CCNC(C[NH3+])c1coc2ncc(N)c(O)c12,0,GDB MedChem
343840,CCCC(O)CNc1nccs1,1,GDB MedChem
197415,CC#CC1=CC2C(C#N)C([NH3+])C1N2C,0,GDB MedChem
185902,C[NH2+]CC(=O)C#CCCC#N,1,GDB MedChem
250342,CCC([NH3+])c1cncc2c(CC#N)cccc12,0,GDB MedChem
253348,[NH3+]CC(O)C(C[NH3+])C1CCNC1=O,0,GDB MedChem
14268,CC1=CCc2cc(C)c(C)c(N)c2C1,1,GDB MedChem
89957,CC1=CCOC2(CC([NH3+])C1)CC2C#N,0,GDB MedChem
235767,C#CC1C=C(C)C2CC2CC1C,1,GDB MedChem
153491,C#CC(C)(O)C(=O)CC(O)c1ccc(C)n1C,1,GDB MedChem
165445,[NH3+]C1CC12CNC(=O)C2CO,0,GDB MedChem
66553,CCC1(CN(C)CC#N)CCC1,1,GDB MedChem
250354,CC(C)(C#N)c1nccc(O)n1,1,GDB MedChem
180477,CC1=C2CC[NH+](CCC(CC[NH3+])=CC1)C2,0,GDB MedChem
240358,C#CCc1c(N)sc(C)c1C,1,GDB MedChem
32285,CCOC1C(N)C1(C)[NH3+],0,GDB MedChem
25669,CC(NC=O)C(=O)c1c[nH]cc1O,1,GDB MedChem
138682,C#CCC1CCCC(C)CC1(CC)C[NH+](C)C,0,GDB MedChem
227854,CC1CC12C[NH2+]C(C(N)=O)C2N,0,GDB MedChem
278690,CC(C)N1C(=O)CC(O)CC2=C1C1CC1C2,0,GDB MedChem
134167,CNC(=O)OCC1OCCC1C#N,1,GDB MedChem
23134,CCC(C)c1ncc(OCC2CCCC2)[nH]1,1,GDB MedChem
361445,C#CCc1cncc(=[NH+]CC=C)[nH]1,0,GDB MedChem
325506,CC[NH2+]CC1(N)CC(CC#N)OCC1O,0,GDB MedChem
219248,CCC1(CO)C#CCCOC(C)CC1,0,GDB MedChem
275944,CC(C)[NH2+]CC1CC(C2CC2)C1,0,GDB MedChem
201232,CC1=C2CC(O)C=CCC2=CCCC1[NH3+],0,GDB MedChem
67273,CC1=CCC2=CC(COC1)C1(CC1)C2,0,GDB MedChem
320384,CC([NH3+])CC1([NH3+])C=C(n2cc[nH]c2=O)CC1,0,GDB MedChem
287550,C#CCOC1C(C)NCC(=O)C1C,1,GDB MedChem
208021,C#CC1OC2C(C#N)CC12O,0,GDB MedChem
163922,CC#CCCC1=C(C[NH3+])CC(C)CC1,0,GDB MedChem
195943,C#Cc1ccn(C=O)c1CO,1,GDB MedChem
59068,Cc1cc(CC(O)C#N)c(NC=O)[nH]1,1,GDB MedChem
262710,CC1(C2CC=CCO2)C([NH3+])C1O,0,GDB MedChem
9141,CCC(C)CCC(C)(C)OC(C)CC(C)[NH3+],0,GDB MedChem
152159,COC1(C)OC(=O)C2CCC1N2,0,GDB MedChem
26498,C#CC(O)C([NH3+])(CCCO)C1(O)CN(C)C1,0,GDB MedChem
13537,O=C1CC=CN2C(=O)OCC2C1,0,GDB MedChem
392366,CC1CC2NC(CO)C2(N)C[NH2+]1,0,GDB MedChem
369551,CCC(C)CC(C)CCCC(C)CCCCO,1,GDB MedChem
179516,C1#CCOCOCC2CC2CC1,1,GDB MedChem
387162,CC(O)C(C[NH3+])C1CCC(C)(O)CC1,0,GDB MedChem
392932,OC1CC=CC12CCC[NH2+]2,0,GDB MedChem
123693,CCC(C1=CCC2=CCCCC21)C(C)[NH3+],0,GDB MedChem
6377,CCC(C([NH3+])CO)N(C)c1n[nH]c(=O)nc1C,0,GDB MedChem
348259,CCC1COCC(O)C([NH3+])C12CN(C)C2,0,GDB MedChem
52087,Cc1ccccc1NS(=O)(=O)C#N,0,GDB MedChem
116323,C=CCC=C1CCC([NH3+])(CO)C1C,0,GDB MedChem
40076,C=C1C(CC)C(C)C1(C#N)C(C)=O,0,GDB MedChem
286608,COC(C)(C=NO)CC1(O)C(=O)C=CC1=O,1,GDB MedChem
148420,CCC1(O)C=C2CC(C(=O)[O-])C2C1,0,GDB MedChem
122565,Cc1cnc(CCC[NH2+]C(C)(C)C)c(CO)n1,0,GDB MedChem
157250,CCOC1CCC(C(N)=O)CC1[NH3+],0,GDB MedChem
357801,CNc1c(C)ccc2ccc(CC(C)C)cc12,1,GDB MedChem
206136,C#CCC1C[NH2+]C2CN(CC)CCC12C(C)C,0,GDB MedChem
82483,C=C1CCC2OCC=C(C)CCC12,0,GDB MedChem
23141,C#CCC1CC(CC)(C(=NO)C(O)CCC)C1,0,GDB MedChem
99342,CC(O)C1CC2=CC=CCOC(C)C2C1,0,GDB MedChem
164305,C=CC1NC2(CNC(=O)OC2)C1O,0,GDB MedChem
113979,CC1CC(CC#N)=CC2COCC12,0,GDB MedChem
335295,CC(Cc1cn(C)c(=O)s1)OC1CC1[NH3+],0,GDB MedChem
38249,C1CC2OC3CCC2(C1)C3,1,GDB MedChem
393504,CC(C)(C)C1C(CCCO)CC2CC21CO,0,GDB MedChem
116830,CC12C(NC=O)C[NH2+]CC1C2O,0,GDB MedChem
360890,CC([NH3+])CC1=CCCC(C)C(CC[NH3+])=C1,0,GDB MedChem
240542,CC1=CCC2C(C)C2(C)C(=O)C1,1,GDB MedChem
171131,CC(C)=CCc1c[nH]cc(C)c1=[NH2+],1,GDB MedChem
282316,CCC1C=C(C#CC2CCC2=O)CC[NH2+]1,0,GDB MedChem
175597,CC12C=CC#CCC(OC1)C(=NO)CCO2,0,GDB MedChem
104831,CC1=CC(C)C(C)(C)OCC1,0,GDB MedChem
339893,COC(C#CC=NO)C(=O)CCC(=O)C#N,0,GDB MedChem
209273,C#CC1C[NH+]2CC(CCC)C1C2C1CC1,0,GDB MedChem
222307,CC1=CC(C)OC2(C(C)[NH3+])CCC(C2)[NH2+]C1,0,GDB MedChem
188417,CC1=C(CC(C)C)C#CCC[NH2+]CCCC1,0,GDB MedChem
52883,CCC1C2CCOC1CC[NH2+]2,0,GDB MedChem
282315,Cc1cc(C)n(C)c1C1CC1,1,GDB MedChem
59040,CC1CC2(C)OCC(O)C2C(=O)C1=O,0,GDB MedChem
306661,C#CC(C)C1(O)CC1[NH3+],0,GDB MedChem
113948,COC12COCC(CC(=O)C1C(C)C)CC2=O,0,GDB MedChem
29287,C#Cc1cncsc1=NC(C)=CC,0,GDB MedChem
275011,CC1C(O)C1CC([NH3+])CC(F)(F)F,0,GDB MedChem
113839,C#CC(CC)CCC(c1ccoc1)C(C)CC,0,GDB MedChem
178950,C#CC1=CCOC1C1([NH3+])CC1,0,GDB MedChem
357019,C#Cc1sccc1CCC#N,1,GDB MedChem
389014,CC1CC2=CC3=CCC=CCC(C3)[NH2+]C21,0,GDB MedChem
69343,CC1=C2COC(CNC(=O)N1)C2=O,0,GDB MedChem
84717,C#CC[NH2+]C1CCC(C)OC1C,0,GDB MedChem
110404,C#CC1=CC([NH3+])C2(C)CC2C1C,0,GDB MedChem
194379,CCC1CC=C(C2(C(C)[NH3+])CC=CC2)C1,0,GDB MedChem
301802,CCC1c2ccc3c(c2C[NH+]1CC)CC=C3,0,GDB MedChem
83694,CCC(CC)[NH2+]CC1(C(C)(C)C)CCCCC1,0,GDB MedChem
306723,CC1=C2C=CC(=O)OCC=C2C2CCC=C12,0,GDB MedChem
263049,C#CC1C=C(CC)C(O)CC1,1,GDB MedChem
297735,CC1=CC2CC[NH+](C)C1C(C)CC(C)(C)C2,0,GDB MedChem
394798,C#Cc1c[nH]cc(C2(C)CCC(C)CC2)c1=[NH2+],0,GDB MedChem
100567,CC1C=CC(C2CC2)C(=O)CCOC1C,0,GDB MedChem
351451,CCC1C(=O)CCC2C3C=C(C)CC132,0,GDB MedChem
28862,CC([NH3+])C1C2COC(=O)C(=O)OC21,0,GDB MedChem
100544,[NH3+]CC1=CCCC#CCC=CC1,0,GDB MedChem
224913,[NH3+]C1CC(O)C1CCCO,0,GDB MedChem
36654,CC[NH2+]CC(CC(=O)C[NH2+]C(C)(C)C)C(C)C,0,GDB MedChem
348324,C#CCC1C=C(c2ncccn2)CC(=O)N1,0,GDB MedChem
35413,C#CC(CC)OC(CO)c1ocnc1O,0,GDB MedChem
62364,CC1(O)CC(NC(C[NH3+])C[NH3+])C1CCC#N,0,GDB MedChem
192686,C#CCCCCOc1onc(N)c1C,1,GDB MedChem
343143,CC(CCNC(=O)C[NH3+])COC1CC1,1,GDB MedChem
376911,COC1(CO)CC(C)C1C,1,GDB MedChem
2525,CNS(=O)(=O)CC#CCCCC#N,1,GDB MedChem
260491,[NH3+]C1CC=C(CC2CCCC2)CCC2CC12,0,GDB MedChem
279499,CCC([NH3+])C(O)CC([NH3+])CC(O)C#N,0,GDB MedChem
309736,C#Cc1cc(OC(CO)C(N)(CN)C[NH3+])ns1,0,GDB MedChem
113922,N#CC12CC[NH2+]C(C(N)=O)CC1CC2,0,GDB MedChem
293002,CCC([NH3+])C1C(CC)C1(C)C,0,GDB MedChem
298005,CCc1ncc(C)c(O)c1-c1cccs1,1,GDB MedChem
137628,C#CC(C)C1=C(CC2(C)CC2)CCCC1=O,0,GDB MedChem
313288,O=C1C(O)CCCC12CCC2,1,GDB MedChem
281765,CC#Cc1nccn(C2CC([NH2+]C)C2)c1=[NH2+],0,GDB MedChem
336309,C#CCC(C)OC(=O)C1(CC#N)CC([NH3+])C1,0,GDB MedChem
327416,C#CC(C)N(C)C1(c2ccn[nH]2)CC1,1,GDB MedChem
152689,CCC(C[NH2+]CC[NH3+])n1c(NC)cc(C)c1C,0,GDB MedChem
129082,CCC1(C)[NH2+]CC2C(C)CC21,0,GDB MedChem
1146,C=C1CC[NH+](C)CCCC(=O)C1C,0,GDB MedChem
216068,O=C1CC2NCCOC12CO,0,GDB MedChem
164255,C#CCC(N)(C#N)CC[NH3+],0,GDB MedChem
294044,C[NH+]1C(CO)C(O)C=CC1(C)C,0,GDB MedChem
1166,C=CNC(=O)C1(O)C(C#N)C1C[NH3+],0,GDB MedChem
345080,CC1C(NC=O)CCC[NH2+]CCC1(O)C(N)=O,0,GDB MedChem
148474,CN1CC(C(C)(C)C[NH3+])C1=O,0,GDB MedChem
245386,CCN1CC2[NH2+]CCC(C)=CC2C1C#N,0,GDB MedChem
276981,CC1OC(=O)NCC2[NH2+]CC21,0,GDB MedChem
245199,C#CCC1=C(CC(C)C(C)C)CC2CC2C1,0,GDB MedChem
359884,CC#Cc1ccc(=N)sn1,0,GDB MedChem
55937,CC(C)([NH3+])C1CCC2(C)CCC12,0,GDB MedChem
10342,[NH3+]CC1C(C(=O)[O-])CC12CNC(=O)C2,0,GDB MedChem
295838,CC1C(=O)N(C)CC1OC(C[NH3+])C[NH3+],0,GDB MedChem
195657,C[NH2+]C1CCC(C)(C)CC1,0,GDB MedChem
40827,[NH3+]CC=CC=CCNc1c[nH]nn1,0,GDB MedChem
299866,CC(C)C1CC=Cc2cc([nH]n2)CCC1,0,GDB MedChem
197582,C#CCC(OC)C(=NO)C(C)(C)CC,1,GDB MedChem
287238,CC1=CC2C(=CCC23CC(CC(N)=O)C3)C1,0,GDB MedChem
73925,CC1=CCC=CC=C(CC2CCOC2C)C1,0,GDB MedChem
10887,O=C1CC23CC=CCC2CC13,0,GDB MedChem
320140,CCCC1CC=C2COCC2=CCC12CC2,0,GDB MedChem
313225,C#CCC1CCC([NH3+])(CC(C)(C)C#N)CN1C,0,GDB MedChem
364423,O=C([O-])C1=CC(O)C2C(O)C2C1,0,GDB MedChem
268954,CC(CCCO)c1nc[nH]c1C(O)C#N,0,GDB MedChem
16604,C#CC1(C[NH3+])C=CCOC(CO)C2CC2N1,0,GDB MedChem
286756,CC#CC1=C(CC)C(C(C)C)C(O)CC=C1,0,GDB MedChem
353475,Cc1cc(N2CC(C)C2CC[NH3+])cn1C,0,GDB MedChem
395583,CC1N(C)CC1(O)C(O)(C[NH3+])CO,0,GDB MedChem
381348,C#CC(CC(C)CC)N(CC)CC(=O)OCC,1,GDB MedChem
330837,C1=C2C(CC23CC3)[NH2+]CCC1,0,GDB MedChem
141087,N#CC1CCOCC12COC2,0,GDB MedChem
78046,CC1=CCOC2(C)CCC=C(C)C2=C1,1,GDB MedChem
282100,CC1CC[NH2+]CCCCC[NH2+]CCC1O,0,GDB MedChem
359004,C#CC([NH3+])(C1CC(C)C1)C(CC)OC,0,GDB MedChem
216261,O=C1C=CC2C[NH2+]C(C(=O)[O-])C2N1,0,GDB MedChem
65156,Cc1ccc2c(c1)c1c(F)ccc(F)c1n2C,1,GDB MedChem
171380,C#CCCC(C)c1[nH]cc2c1NCC(C)(C)C2,0,GDB MedChem
137828,CCC1(C(CO)=N[O-])C=CC=CCC(=O)N1,0,GDB MedChem
19067,C#Cc1scc(C)c1C(C)(C)O,1,GDB MedChem
380959,C[NH2+]CC#Cc1sc(=N)cnc1C,0,GDB MedChem
132595,C=CC=CC1=CCC(=O)N1C(C)C,0,GDB MedChem
169733,CCC1=CC(C#N)C2C(=C3CCC3)CCC12,0,GDB MedChem
313889,C[NH2+]C1C(CO)CC2NC(=[NH2+])N(C)C21,0,GDB MedChem
212716,C=CCCC(C[NH2+]CC)NC1CC1,0,GDB MedChem
280117,CCOCCCC(C)C(C[NH3+])CC(C)(C)CC,0,GDB MedChem
30763,C#CC1(C(=O)[O-])CC(C(C)O)CCN1CC[NH3+],0,GDB MedChem
178898,C#CCC(C(N)=O)C1=CCC([NH3+])C1,0,GDB MedChem
210075,CC#CC1(C[NH3+])CC(C)C1,0,GDB MedChem
322585,C#Cc1cc(N)c(C(C)(C)C)cc1C(C)CC,1,GDB MedChem
171744,C#CC1C2CCC3CCCC[NH+](C)C312,0,GDB MedChem
163732,CCC=Cc1cc2c(o1)OCCO2,1,GDB MedChem
395208,COC1CC1C(C)([NH3+])C(N)CO,0,GDB MedChem
249268,C#CCc1c(O)ccoc1=[NH+]C,0,GDB MedChem
360057,CC#CC([NH3+])C12CC1CC(CC)=CC2O,0,GDB MedChem
195150,CNc1ccc2c(C[NH3+])ccc-2[nH]1,0,GDB MedChem
391968,CCC(CC(C)C(C)[NH3+])Nc1ccno1,0,GDB MedChem
211588,CCC(CO)OC(C(C)O)C(O)CC,1,GDB MedChem
178954,CC1C2CCC=CCC3=CCCC=CC312,0,GDB MedChem
110881,CC(O)C1=CC2CCC(C2)C1[NH3+],0,GDB MedChem
206584,CCC[NH2+]C1CCC(=O)N(C(=[NH+]C)N(C)C)C1,0,GDB MedChem
263013,C#CC(CC)(CC)C1(C)CCC(C(C)[NH3+])C1C,0,GDB MedChem
17219,C[NH2+]C1C2CNC=C(C(=O)[O-])C1CO2,0,GDB MedChem
355211,CC1C(O)CC[NH2+]CC(O)C1[NH3+],0,GDB MedChem
174538,C#CCCC(C)[NH2+]C1Cc2c(C)[nH]c(N)c2C1,0,GDB MedChem
241367,C#CC1(NS(=O)(=O)CCC)CC1CO,1,GDB MedChem
132894,C#CC1NC2(CC(O)C2)C(C)OC1=O,0,GDB MedChem
60121,CC1=C2CNC(CC=CC1)S2(=O)=O,0,GDB MedChem
53566,CC=CC(C)C1C(=O)C2OCCC21,0,GDB MedChem
220577,CC[NH2+]C1CCC=C(C#N)C2CC2C1,0,GDB MedChem
227864,CCC1CC1C1CC1(C)CC[NH3+],0,GDB MedChem
138332,NC1C([NH3+])C2=CC(C=C(C[NH3+])C1C[NH3+])OC2,0,GDB MedChem
219813,C=CCC12CCC([NH2+]1)C(O)C2CO,0,GDB MedChem
170738,C#CC(C1=C(C)CCC(C)CC1)C1CC1,0,GDB MedChem
316852,CC1OCCC2CC1(C#N)N2C1CC1,0,GDB MedChem
373334,C[NH2+]C1(CO)CCN(C)C1=O,0,GDB MedChem
250709,CC1(C)CC1S(=O)(=O)CC#N,1,GDB MedChem
128546,CCCc1nc(=NCc2noc(=N)s2)ccs1,0,GDB MedChem
129112,O=C1CC=CC2(CN1)NCC2=O,0,GDB MedChem
13237,C#CCC(C)C1(Nc2cnn(C)c2)CC[NH2+]C1,0,GDB MedChem
71388,CCC1(C(O)C#N)CNCC(N)=CC(=O)C1,0,GDB MedChem
292771,CCc1nc(NC)c(C)cc1NS(C)(=O)=O,1,GDB MedChem
10144,C#CC(C#N)CC1(C2CC2)C(C)=CCC1[NH3+],0,GDB MedChem
366085,CCCCC1CCC(O)C2CCCN2S1(=O)=O,1,GDB MedChem
286624,C#CC1CC(C(C)C)CCC(C)C(=O)CC1=O,0,GDB MedChem
316888,CCNc1oc(CC#N)cc1C,1,GDB MedChem
282839,C#CC1C(C#N)=CC(C)C1O,0,GDB MedChem
127548,OCC1C(=NO)C2CCC2C1=NO,1,GDB MedChem
398253,CC(C([NH3+])CO)C1CC1C#N,1,GDB MedChem
59513,CCCC(=O)NCc1ncnc(C(O)C[NH3+])n1,0,GDB MedChem
103571,C=C1C=CC2CC2([NH2+]CC)C1C#N,0,GDB MedChem
370515,C#CC(O)C1Cn2cccc2C(C)CC(C)[NH2+]1,0,GDB MedChem
198151,CC(=O)CN1C(=O)CCCC(C)C1=O,1,GDB MedChem
133093,COC1C(=O)C2OCCC12,1,GDB MedChem
105824,CC1C2CC(C#CCO)[NH+]3CC=CCCC123,0,GDB MedChem
204773,C[NH2+]CCc1cscc1CN(C)CC#N,0,GDB MedChem
293256,C1=C2CCC2CC(C2CC2)C1,1,GDB MedChem
111369,CCC12CC1CC(C)C[NH+]2C,0,GDB MedChem
329195,N#CC1CC=CC2(C=NO)CC1C=CC2O,0,GDB MedChem
220118,Cc1ncc(=N)oc1CC[NH3+],0,GDB MedChem
222368,C[NH2+]C(CNC(N)=[NH2+])C1CCC1O,0,GDB MedChem
296756,CC1=C(C)CC(CC#N)(S(C)(=O)=O)CCC1,0,GDB MedChem
367713,CC#CC1=C(C)C2CC2C1,0,GDB MedChem
15073,COCCOC1C=C(S(C)(=O)=O)CC1C,0,GDB MedChem
109917,CCCC(COC)Cc1ccc(C(C)(C)[NH3+])s1,0,GDB MedChem
210093,CC1=CC(NC2(C[NH3+])CC2)C(C)=C1,0,GDB MedChem
14993,O=C1CNC=C1C1=CC[NH2+]C1,0,GDB MedChem
75741,O=C1CCCC2(CC#CCN1)CCC2,1,GDB MedChem
224427,Cc1nc2[nH]c1CCCOC(C[NH3+])(CO)OC2,0,GDB MedChem
313933,CC=C(C)C=CC(=CN)S(=O)(=O)CC,0,GDB MedChem
388127,C#CCC12COC(CC[NH2+]1)C2,0,GDB MedChem
165456,[NH3+]C1CCC2(C=CCC2)C1,0,GDB MedChem
319514,CC([NH3+])C#CC1CNC(NC(C)CC[NH3+])=[NH+]1,0,GDB MedChem
343189,CC1C2C[NH2+]CCC(O)CC12,0,GDB MedChem
176343,Cc1cc(Cl)c2cc3sc(C)ncc-3c2c1,0,GDB MedChem
141430,CC#CC(C)=C(C)c1noc(=O)s1,0,GDB MedChem
196433,CC[NH2+]C1CCCC12C([NH3+])COCCOC2C,0,GDB MedChem
195043,C=CC(=O)CCC(C)(O)C(=O)CO,1,GDB MedChem
82721,CC1C=CC=CCCc2cccc1c2F,1,GDB MedChem
380490,NC(=O)C12COCCC1=CC1OCC1C2,0,GDB MedChem
369500,CC1C=CC(O)C(C2CC(O)C2)=CC1(C)C,0,GDB MedChem
200622,C#CC(N)(C1CC([NH3+])CC1[NH3+])C(C)(C)C#N,0,GDB MedChem
297771,CCCC1(C(CCO)CC(C)[NH3+])CCC1,0,GDB MedChem
19063,CC12CCOC1COCC(C(C#N)CCO)N2,0,GDB MedChem
179536,Cc1cccc2c1C(=O)CNCC(=O)C2,1,GDB MedChem
183809,CCOCc1cc(C)sc(=N)c1O,0,GDB MedChem
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275246,C[NH2+]C(C)(C)C1C(C)CC1C#N,0,GDB MedChem
216809,NC(=[NH2+])NCc1csc2ccc(Cl)cc12,0,GDB MedChem
92954,CC1(C2C#CC=CC(C=NO)COC2)CC1,0,GDB MedChem
286950,C#CC(C#N)CCC(C)([NH3+])c1cc(=[NH2+])ccs1,0,GDB MedChem
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319765,CC1(C)CC(CO)C2CCCCC=C1C2,0,GDB MedChem
14057,C#CC1=Cc2c(C)csc2CC=C1C,0,GDB MedChem
61567,CC12COC1CCC1CC1C[NH2+]2,0,GDB MedChem
190944,CC1OC2(COC2C(=O)[O-])CC1CO,0,GDB MedChem
318847,C=CC12OCCC(OC)C1C2CC,0,GDB MedChem
195585,CCC(C)(C(=O)n1nnnc1C)C(C)C,1,GDB MedChem
302998,C#CC(=O)OC1C(C#N)=CCC(C)C2CC12,0,GDB MedChem
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370950,C=C(C#N)CC=CC=CCC(=O)[O-],0,GDB MedChem
30531,[NH3+]CCC[NH+]1CC2CCC13CC23,0,GDB MedChem
164989,CC(C)CC1C2[NH2+]CC(C)C12O,0,GDB MedChem
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253349,CC(O)(C#CC[NH3+])C1(O)CCC1,0,GDB MedChem
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47588,CN1CC(=O)C(CC#N)C12CC2,1,GDB MedChem
149209,O=c1ccoc(-[c-]2[nH]ccc2=O)c1,0,GDB MedChem
138287,CCC(O)C(C)[NH2+]CC(=O)CO,0,GDB MedChem
78119,C=C1CC2CC3C[NH2+]CCC2C13C,0,GDB MedChem
153855,Cc1cc2c(C)c(C)cc-2co1,0,GDB MedChem
345055,CC1C2C=CC=CC1([NH3+])C=CC2,0,GDB MedChem
211558,C#CC(C(=O)CCCO)N1CC(CO)C1,0,GDB MedChem
386872,CCC1CCC(OC)C(C)[NH2+]1,0,GDB MedChem
27890,CCC([NH+](C)C1CC1)C1(C)CC1,0,GDB MedChem
376832,C=C(C)C1[NH2+]C(C)C=C(C)CC1C,0,GDB MedChem
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266973,COC(C)C12C(C)=CCN1CC2O,0,GDB MedChem
35252,CCC1(C2C=CCC[NH2+]2)C(C)C(O)C1C,0,GDB MedChem
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238270,CC(O)C1=CC2CC=CC1C2CC#N,0,GDB MedChem
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380456,CCCCC1CC(=O)CC1(C)C(C)(C)CC#N,0,GDB MedChem
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353830,CCOC1CC[NH2+]C(CC)C=CC1[NH2+]C,0,GDB MedChem
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58878,CC1C[NH2+]C12CCOCC1CC2OC1=O,0,GDB MedChem
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144040,CNC(=[NH2+])NC=Cc1nocc1C,0,GDB MedChem
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63255,CC1CC(CC#N)CC(c2csnc2N)O1,0,GDB MedChem
154159,C[NH2+]CCC(O)C(C[NH3+])NC(C)=O,0,GDB MedChem
257060,CNC12CCCC(C[NH2+]C1)OC2C#N,0,GDB MedChem
179072,Cc1c(N)oc(C2CC2)c1C#CC(C)[NH3+],0,GDB MedChem
323681,N#CC1=CCC(O)C(=O)CCC1,0,GDB MedChem
138465,N#CCC1C=CC(C(CO)=N[O-])CO1,0,GDB MedChem
92505,C#CC(=O)OCC(CN(C)C=O)NC=O,1,GDB MedChem
250495,CCC1CCCC(C)C12CCC[NH+](CC)C2C,0,GDB MedChem
109026,CCc1c(OC)coc1CC1CC=CC1,1,GDB MedChem
255749,CC#CC1CC2(C)CCC(CC)[NH2+]C12,0,GDB MedChem
275990,CC[NH+]1CCC(CC#N)CC1,0,GDB MedChem
14897,C=C(C)C#CCC1(CC)CCOC1,0,GDB MedChem
321171,C#CC1CC(Oc2ccoc(=O)n2)C1,0,GDB MedChem
5602,CCCn1cncc1C1CC(=O)O1,1,GDB MedChem
314388,C=C1CC([NH3+])C(N)C(OC)OC1=O,0,GDB MedChem
389344,CC1C(O)C1C(C)[NH+]1CC=CC1,0,GDB MedChem
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109945,C#Cc1cc2sc(CC)cc2cc1C,1,GDB MedChem
35424,CCC1CC(O)(CO)C(OC)C(=O)O1,0,GDB MedChem
152421,CC1CCC2CC=CC1[NH2+]2,0,GDB MedChem
156799,CC(O)C1COCCOC(=O)C1,1,GDB MedChem
128105,CC1CC2CC2C(CO)[NH+]1C,0,GDB MedChem
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319067,CC1NC2COCC2(C#N)NC1=O,0,GDB MedChem
249099,NCC([NH3+])CCc1ccsc1[O-],0,GDB MedChem
307213,CCNC(=O)C1CCCC2(C)CCCC[NH2+]C12,0,GDB MedChem
85283,C[NH2+]C(c1c(C(C)NC=O)coc1N)C(C)C,0,GDB MedChem
381001,C=CC1[NH+](C)C(C)C1(C[NH3+])C(=O)[O-],0,GDB MedChem
270598,N#CCC1(O)C([NH3+])C1C[NH3+],0,GDB MedChem
113386,C[NH2+]CC1C=CCCC2C([NH3+])C2(N)CN1,0,GDB MedChem
63752,C#CCCC1CCC(CC)CCC1(C)[NH+](C)C,0,GDB MedChem
383580,C[NH2+]C(C)(C)C1CC1NCc1nnsn1,0,GDB MedChem
225799,CC1=CC=CCC#CC2=C1CC[NH2+]C2,0,GDB MedChem
29847,CCC1CCNC(C)=CC(=O)C(C)=C1C,0,GDB MedChem
154626,NC(=O)CCN1CCC1C[NH3+],0,GDB MedChem
76542,CC([NH3+])C(C)(CO)C1CC=CCC1O,0,GDB MedChem
375298,CCC(O)(C#N)C1(C)NCC1C([NH3+])CCO,0,GDB MedChem
149542,C#CCCC=C1CCC(=CC)C1O,1,GDB MedChem
14579,CC(=O)C(O)C1CCCC1(C)C(C)C,1,GDB MedChem
57573,C=CC1=CC(=O)N(C(=O)N(C)C)C1,1,GDB MedChem
96656,CC(C)COc1oc(=N)sc1C1CC1,0,GDB MedChem
281366,CC(C)C(C1CCC1)C1C=CCCO1,1,GDB MedChem
82234,CCc1cc2c(cc1Cl)C([NH3+])C(C)N2CC,0,GDB MedChem
370892,CC(=C[NH2+]CC(C)O)C(=NO)C(C)O,0,GDB MedChem
107079,CC(C)C#CC12CC([NH3+])C1C2,0,GDB MedChem
194837,C[NH2+]Cc1[nH]ncc1NC(C#N)C1CC1,0,GDB MedChem
122773,COC1CCC1(CO)C1C=CC(C)C1,0,GDB MedChem
144944,C#Cc1cc(C2[NH2+]C(C)CC2O)cn1CC[NH3+],0,GDB MedChem
177928,C=Cc1cc(C2CC2)c(=O)oc1C,1,GDB MedChem
359898,C#CC(C)([NH3+])C(C)(C)C#N,0,GDB MedChem
178553,Cc1cn(C)cc1N(C)CCC(C)C,1,GDB MedChem
200223,CC1C2CC(CO)OCOC12,0,GDB MedChem
254798,C[NH2+]C1CNC2(C1)C(O)C2O,0,GDB MedChem
72891,C#CC1CC(C2=CC(=O)CC2)C1,0,GDB MedChem
211620,C#Cc1cc(=[NH2+])c(C#N)c2oc(CCC)cn12,0,GDB MedChem
190962,CCC1=CC(C)CC1(CC(C)(C)O)C(C)C,0,GDB MedChem
147723,CC1=CC2C=CC(CCO)=CC(C)C1C2O,0,GDB MedChem
115662,COC(C(CO)=N[O-])c1cnc(C)cn1,0,GDB MedChem
27719,CNC(C[NH3+])(C[NH3+])COC,0,GDB MedChem
391246,C#CC(C)(CC)CC1CC(O)(C(C)CC)C1,1,GDB MedChem
69296,CCOC(C(=O)C[NH2+]C)C(C)CC[NH2+]C,0,GDB MedChem
201219,CCC(CCC#N)OC12CC1C[NH2+]C2C,0,GDB MedChem
357845,CC1=CC2CCC([NH3+])C(CC(C)=C1C)C2,0,GDB MedChem
64559,CCC1OCC(OC)CC(=O)CC(C)(C)C1O,0,GDB MedChem
316005,CCCC1CCC(CO)[NH2+]C(C)C(C(C)C)C1,0,GDB MedChem
344456,O=c1cnc2occsc1=2,0,GDB MedChem
67088,CCc1c(C)c(F)cc(C(O)CC)c1O,1,GDB MedChem
5175,CCc1c(Cl)c(Cl)cc2c(C[NH3+])c[nH]c12,0,GDB MedChem
232836,CC(C)(C)CCC1(O)C([NH3+])CC2CC21,0,GDB MedChem
43844,CCCC(C)(C)[NH2+]Cc1cnc2c(c1)COC2,0,GDB MedChem
280130,CCN1C(=O)C(=O)c2c1cc(N)c(C)c2Cl,1,GDB MedChem
311243,C#CC1CC(C[NH3+])C1C(N)C#N,0,GDB MedChem
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49867,CCC1[NH2+]CC=CC=C2CCC3CC23C1C,0,GDB MedChem
249147,C[NH2+]C(CO)C(C)(C)COc1cc([O-])on1,0,GDB MedChem
305757,CCCN(C)C(C=NO)(CO)C[NH2+]CCO,0,GDB MedChem
389878,CCOCC(C)COc1snnc1C,0,GDB MedChem
230899,CC(=NO)C(CNc1cnoc1)C1=CC[NH2+]C1,0,GDB MedChem
112707,Cc1ccn(-c2csc(C(C)C)c2)n1,1,GDB MedChem
258968,C=CC([NH2+]C)C1[NH2+]CC2(NC)CC12,0,GDB MedChem
262743,C[NH2+]CC1C=C(C)C2C=CCC=CCC12,0,GDB MedChem
62679,CCN(C)c1ccccc1C1CC1C,1,GDB MedChem
243258,C#CCC12C(CC)OCCC1C2CO,0,GDB MedChem
307416,C#CCc1c([N+](=O)[O-])oc(-c2ccno2)c1[O-],0,GDB MedChem
143212,Cc1ccn(C)c1CCC(C)CC(C)C(C)C,1,GDB MedChem
364422,C1=CC2(CC1)OCCCO2,1,GDB MedChem
321160,CNC(=O)C1CC12OCC1C(=O)CNCC12,0,GDB MedChem
347397,CC(C#CC1=CC[NH2+]C1)C(=N[O-])c1nnon1,0,GDB MedChem
331299,C#CCc1ccc2c(c1)-c1cc(CC)[nH]c1C2,0,GDB MedChem
63925,CCC(CC)(C[NH3+])C1OC(C)(CO)CCC1C,0,GDB MedChem
13666,C1=CC2CCCC2(Cc2ccon2)C1,1,GDB MedChem
326134,CC1(C)CC2[NH2+]C1CC2CO,0,GDB MedChem
319474,CC1COC2CCC2C1CO,0,GDB MedChem
236921,CC1OC2OCCC(C)C2(C)C1=O,0,GDB MedChem
263688,CC1COC(C)C(C(N)=O)CO1,0,GDB MedChem
15144,C#CC1=C(CC)C2C=CC[NH+](CC2)C1CO,0,GDB MedChem
158548,CN(C)CC(C)(C#N)C1=CNC(=O)C1CO,0,GDB MedChem
8021,CCC1=CS(=O)(=O)N2C=CC=CCC=C12,0,GDB MedChem
285143,C1CNCC2(CN1)[NH2+]CC1CC12,0,GDB MedChem
331103,C=CC1CC(C(C)(C)[NH2+]C)C2CC12,0,GDB MedChem
234606,C#CC1=CC2C=CC(C1)C(CC)CC2C,0,GDB MedChem
236847,NC(=O)C(O)c1ccc(CC#CCO)o1,1,GDB MedChem
158125,CCC1=CC=C(C)C=C(C(C)C)CC1,0,GDB MedChem
244216,OCCCC1[NH2+]C2(CC2)C1O,0,GDB MedChem
289685,CC1(CO)CC(c2cscc2[O-])CC1=O,0,GDB MedChem
247960,C#CC(C)(C)C12CCCCC(CC1)COCC2,0,GDB MedChem
43415,CCn1c(OC)c(C(=O)COC)[nH]c1=O,0,GDB MedChem
393745,C#Cc1ncc(-c2c(C)ccc3occc23)s1,1,GDB MedChem
305428,[NH2+]=C(NCC=NO)NC1CC2(CC=CC2)C1,0,GDB MedChem
127613,COC(C)(COCC(C)CO)c1ccccc1,1,GDB MedChem
6387,C=CC1=C(C2(C)CCC2)C=CC1=NO,0,GDB MedChem
389021,CC1CC2CC[NH2+]C(C2)C1C(C#N)=N[O-],0,GDB MedChem
84109,CN1CC(C)(OC(=O)CO)C1,1,GDB MedChem
239516,C#CC1CC(C#N)(C(C)(C)C)C[NH+]2CCC1C2,0,GDB MedChem
101769,CC(=NO)C1C[NH2+]CCC(C)=C1CCO,0,GDB MedChem
187522,CC1=C2CCCN3CC(=O)N(C)C(C1)C23,0,GDB MedChem
45153,C#CCC(C[NH3+])(OCC1CC1)C1CC1,0,GDB MedChem
63889,CC[NH2+]CC(N)CC1(C#N)CC1,0,GDB MedChem
71878,C1#CCOC2C[NH+](CCC1)C1(COC1)C2,0,GDB MedChem
13412,CCN1CC(OC)C1=O,1,GDB MedChem
75735,CC(=O)C#CC(O)CC1CC1,1,GDB MedChem
1180,C[NH+]1CC2CC3=CCCCCCCC3(C)C21,0,GDB MedChem
267578,CC=CC(=O)C=C1CNC(=O)C1C,0,GDB MedChem
233744,CCc1nc(O)nc2c1CN(CC)C2,1,GDB MedChem
38239,[NH3+]CCC1C=CC2C(O)C=CCC2C1,0,GDB MedChem
50165,CC[NH2+]Cc1nnc(CC#CCC#N)o1,0,GDB MedChem
175491,CCCC1CC(=NO)C2CC2C(CC)=C1C#N,0,GDB MedChem
320350,C[NH2+]C(C)(CO)C1=C2CC=CC2[NH2+]C1(C)C,0,GDB MedChem
151509,CC[NH2+]C1C=CC2C=CC(=O)CC2C1,0,GDB MedChem
1161,CCCS(=O)(=O)C(O)CC1CC1,1,GDB MedChem
392632,CC1COC2(CO)C(O)CC12,0,GDB MedChem
249285,CCC1CCN(C)c2c(NC)c[nH+]cc21,0,GDB MedChem
39525,C[NH+]=C1NC=C(C)C2C[NH2+]C3CC3C2CN1,0,GDB MedChem
245477,O=C1OC2C(O1)C2C1CC1O,0,GDB MedChem
384059,Cc1cc(C(C)C)n(C=O)c1,1,GDB MedChem
264241,CCC1CC[NH2+]CC=C(C)CCC(C)(C)C1,0,GDB MedChem
106339,C=C1CC(O)(CO)C=CC(=O)C1C,0,GDB MedChem
370842,C#CC1CCCC(O)C([NH3+])C1,0,GDB MedChem
188382,CC1=CCCCCC#CC=C(CO)CC1,0,GDB MedChem
375601,C[NH2+]C1C(C#N)C=C(C)C1(C)N(C)C,0,GDB MedChem
275012,CC1=CCC(C)CC(CC#CC(C)C)=C1,1,GDB MedChem
306573,C#CC([NH3+])C1CC(C)(C#N)OC1C,0,GDB MedChem
232360,C#Cc1nc(C(C)CCCC)cc(=N)s1,0,GDB MedChem
266783,COCc1scc(C2=C(C#N)CCC2)c1[O-],0,GDB MedChem
257388,O=C([O-])C1C2C(=O)CC3CC[NH2+]CCC312,0,GDB MedChem
190986,COCC(C)(NC(N)=[NH2+])C(C)[NH+]1CCC1,0,GDB MedChem
123368,C[NH+](C)CC[NH2+]C1C2C[NH2+]CC21,0,GDB MedChem
229929,CC1=CC[NH+]2C1C(=O)CC(O)C2CC(C)O,0,GDB MedChem
22929,CCC1CC12C=CC[NH+]2C(CC)(CC)CN,0,GDB MedChem
19065,C#CC1C(C)NC(C)S1(=O)=O,0,GDB MedChem
19033,CCC1=CNC(=O)C(C)C2C1C2(C)C,0,GDB MedChem
286951,C#CC(O)(CCC)C(C)[NH3+],0,GDB MedChem
9664,N#CC(O)CC12[NH2+]CC1CCC2O,0,GDB MedChem
343839,CCN1CC(C)C(C[NH3+])C(C)CC1=O,0,GDB MedChem
104897,NC(=O)C(=O)NC1=CCC2CC2(O)C1,0,GDB MedChem
162256,O=C1COC2COC2CC1=O,0,GDB MedChem
319216,C#Cc1sc(C(C)(C)C)c2c1CCC=C2,0,GDB MedChem
365024,C[NH2+]CC1C=C(C)C2C(C)C2O1,0,GDB MedChem
115807,C#CC1CCCCCCOCC1(C)CCCC,0,GDB MedChem
192032,N#CC1C=CNC(=O)CC1CO,0,GDB MedChem
278370,CCC1(C([NH3+])C(C)CCOC)CC1,0,GDB MedChem
357250,C#CC([NH3+])Cc1ccn(-c2nnc[nH]2)c1,0,GDB MedChem
39544,C1[NH2+]C2CC1C1(C[NH2+]C1)C2,0,GDB MedChem
73081,CC(C)C1C(=O)C=C(CC2CC2)C1(C)C,1,GDB MedChem
184614,CC(C)C1C(C[NH3+])CC1C1(C#N)CC1,0,GDB MedChem
182742,CC(CO)C1COC1(C#N)C(=O)[O-],0,GDB MedChem
313189,Cc1cccc(OCC(C)C(C)(C)CO)c1C,1,GDB MedChem
276010,CCCCCn1cc(C(C)C(C)(C)CC)cn1,0,GDB MedChem
178903,CC1=CC(C)CCCC([NH3+])C2C(=O)NCC12,0,GDB MedChem
29859,CC1CC2CN(C)CC2C([NH+](C)CCC[NH3+])C1,0,GDB MedChem
391949,C[NH+]1CC2CC2OC(C[NH3+])C(C(C)(C)O)C1,0,GDB MedChem
220814,CCCCC1C(=O)C(=O)CN1C,1,GDB MedChem
276972,Cc1c(CC(C)C(C)(C)C)ccn1C(C)CO,1,GDB MedChem
388179,CC(C)C1[NH2+]CC1Nc1ccsc(=N)[nH+]1,0,GDB MedChem
226633,CN1CCC(=O)C1c1cc(=O)onc1C#N,0,GDB MedChem
294865,Cc1cnn2c1CC(CC(C)C)=CCC2,1,GDB MedChem
140441,C#CC1C=C(CC([NH3+])C2CC2)CCO1,0,GDB MedChem
215909,CC1=C(CC[NH3+])CC2CC3(CC3)OC12,0,GDB MedChem
7007,O=C1OCCC2CCC3CN1C23,1,GDB MedChem
111335,C#CC(C#N)(CC([NH3+])C(=O)[O-])NC,1,GDB MedChem
210600,CCC(O)C([NH3+])(C(=O)[O-])C(C)CO,0,GDB MedChem
268390,C=C1C=CNC(=O)C=C(N)CC1=NO,0,GDB MedChem
318906,C[NH2+]CCC(COC1CC(O)CO1)NC(C)=O,0,GDB MedChem
149215,C#CC1[NH2+]C(C)C1=C1C=C(CC)CC1,0,GDB MedChem
69789,CCC1(N)C(C#N)NC(CO)C1OC,0,GDB MedChem
316869,CCC1(C2CC2[NH3+])CC1,0,GDB MedChem
239668,CCC1=CC([NH3+])C(C)(C(C)COC)C1,0,GDB MedChem
327291,NCC1(CO)COCCCC[NH2+]1,0,GDB MedChem
343051,C#CC(O)CC1C2CC(CO)=C(C)C21CO,0,GDB MedChem
333214,[NH3+]C1C2CCC1(O)C=CNC(=O)CCN2,0,GDB MedChem
200639,C#CC1(C(C)CC#N)OC(C)C[NH2+]CC1C[NH3+],0,GDB MedChem
278319,CCC1C=CCOCC1(C)O,1,GDB MedChem
285410,C[NH2+]CC(C)C(=O)C1=C(C)C(C)CC1,0,GDB MedChem
21654,c1cc(CC2CCC(C3CCCC3)CC2)cs1,1,GDB MedChem
261903,CCC1CC2=CC(O)(CCO1)C(C)C2=NO,0,GDB MedChem
224371,COCC1C(OC)CS(=O)(=O)C2CC12,0,GDB MedChem
370816,CCC([NH3+])(CO)C(C)(C)[NH2+]C,0,GDB MedChem
297748,CN(C)c1cc(N)cc(=O)[nH]1,1,GDB MedChem
256256,C#CCOCCCc1cnoc(=N)n1,0,GDB MedChem
189700,OCC12C=CC=CC(=NO)C1=CC[NH2+]2,0,GDB MedChem
263070,C#CC12CCOC1C[NH2+]C1COC12,0,GDB MedChem
314587,CCC1CC2CC(N)C[NH+]2C1(C(N)=O)C(C)C,0,GDB MedChem
198544,C[NH2+]C1C=CC2=C(CCC1)C1(C)CC1C2,0,GDB MedChem
240252,C#CCC(CC#N)(CCC)Nc1cscc1C,0,GDB MedChem
382358,CCC(C#N)C(C[NH3+])(CO)NC,0,GDB MedChem
128141,C#CC[NH2+]CCC1=CC[NH2+]CCCC1(C)C,0,GDB MedChem
332746,Cc1cc(C)c(C2CC2)c2c1CCC2,1,GDB MedChem
241918,[NH3+]C1CC2(C=CCO2)OC(=O)C1O,0,GDB MedChem
88886,CC#CC1(C)CC(C)C1CO,1,GDB MedChem
271297,C[NH2+]C(C)C(=O)C(=O)C1([NH2+]C)CC1,0,GDB MedChem
292027,COC1(C)C#CCCCCCC=CCC1,1,GDB MedChem
169787,C#CC1CC23[NH2+]CCC=C2C(C)=CCC13,0,GDB MedChem
14448,C#CC[NH+]1C2CC2C2CCCC21C,0,GDB MedChem
333280,CC1=C(C)C(C2(CO)CC[NH2+]2)OC1,0,GDB MedChem
211607,CCCN1CC2=C(C(=O)N(C=O)C2)C1=O,0,GDB MedChem
354931,CCC1OCC(C)CC12COCCCC([NH3+])C2,0,GDB MedChem
358698,COC12CCCC1Nc1cncc(C)c1OC2,1,GDB MedChem
32365,CCc1nccc2cscc12,1,GDB MedChem
71345,N#CC#CC1C2OC(=O)OC12,1,GDB MedChem
147743,CC[NH+]1CCCC1C(C)[NH2+]C,0,GDB MedChem
313965,CC(C[NH3+])N1CCC2(C)CC2C1,0,GDB MedChem
351718,C#CC1(C)C2C(C(C)C)=C(C)CC2[NH+]1C,0,GDB MedChem
314315,CCC1[NH+]=C(N)NC2=C(C)C[NH2+]CC21C,0,GDB MedChem
314305,C#CCC1(Cc2nccnc2C[NH3+])CCCC1,0,GDB MedChem
56706,CC1CNC2=C(C(=O)O1)C(=O)C(=O)CC2,0,GDB MedChem
198174,CC(=O)C1C=CS(=O)(=O)NCCOCC1,0,GDB MedChem
27700,C1=CC2(CC2)[NH2+]CC(C2C[NH2+]C2)C1,0,GDB MedChem
81284,C1=CC2CCCC[NH+]3CC=CC23CC1,0,GDB MedChem
301782,C#Cc1cc(CN(C=O)CC)c([O-])s1,0,GDB MedChem
129110,CC1OC(C)(C[NH3+])C1CC#N,0,GDB MedChem
233713,CN1C2C=C(C(CO)=NO)C1C(=O)C2,0,GDB MedChem
177982,CC(C)C#Cc1cc(=N)[nH+]c(N)[nH]1,0,GDB MedChem
190690,CC1CC(CC[NH3+])(CC2CC2)C1,0,GDB MedChem
14434,COCC([NH3+])C12CC1C=CC2CO,0,GDB MedChem
149535,CC1CCOCC(=C2CCC(=O)C2)C1=O,0,GDB MedChem
158136,CC1=C2C[NH2+]C2CC1,0,GDB MedChem
7610,C#CC[NH2+]CC1=C(C)C2(C#N)CCC1C2,0,GDB MedChem
282123,COC(c1cnc([O-])s1)C(O)CCC[NH3+],0,GDB MedChem
110169,C#CC(C)C1NC(=O)OC1CC1COC1,0,GDB MedChem
372930,C#CC1=CN(C(=[NH2+])NC)C(=O)C1C[NH3+],0,GDB MedChem
372917,CCCCC(=O)C1C=CCC(C)=CC1,1,GDB MedChem
326503,N#CCC1(O)CC1C[NH2+]CC[NH3+],0,GDB MedChem
346050,CCC(O)C(=O)CC[NH+]1CC=CC1,0,GDB MedChem
86800,C=C1CC=C2CC(OC)C3CC23C1,0,GDB MedChem
175997,CCC1[NH2+]CCOC(=O)C=C1C,0,GDB MedChem
4531,CC1CC(C)C12CCC(=O)C2=O,0,GDB MedChem
9600,CCC[NH2+]CCCc1cn(C(N)=O)cc1CC,0,GDB MedChem
104168,CC1=CCC2(C)CC(C#CC(C)C1)CO2,0,GDB MedChem
16202,CC1CCCC(N(C)C=O)CC12CCOCC2,0,GDB MedChem
325482,CC1=C2C[NH2+]CCNC2C=CNC1=O,0,GDB MedChem
317876,CC(CC1CCOC1)[NH2+]CC(C(N)=O)N(C)C,0,GDB MedChem
314331,C=C1CC(C)OCC2(O)CC2C1=NO,0,GDB MedChem
82790,NC(=O)C1=C2CCN2C2(CCC2)CC1,0,GDB MedChem
387800,CC[NH2+]CC#CC12C=CC(C=C1)N2C=O,0,GDB MedChem
92955,CCC1[NH2+]C2C=C(C)C1C2CC,0,GDB MedChem
71359,C[NH2+]C1CC1C(C)CO,0,GDB MedChem
326227,Cc1cc(N(C)C(N)=O)c(C)n1C=O,1,GDB MedChem
231297,CC(C[NH2+]C1CC1)c1cnn(C)n1,0,GDB MedChem
199260,CC1C(C(C)(C)[NH3+])C12C=CCC=CC2,0,GDB MedChem
216834,CC1C(C)C1(C)OC(=O)CCC(O)CO,1,GDB MedChem
249010,CCC#CC(CN(C=O)C=O)(OC)C1CC1,1,GDB MedChem
133057,C#CCCC(CC(C)C)(OC)c1coc(C)c1,1,GDB MedChem
164858,Cc1cc([O-])sc1C#CCOCCCC#N,0,GDB MedChem
141126,C#CC(CC(C)(C)C)C1C(=O)C(C)CC1CC,0,GDB MedChem
113989,CCC1CC2C(=NO)C(C)=CCC3=C2C1CC3,0,GDB MedChem
207237,COC1C2OCC2N(C)C1CO,0,GDB MedChem
159116,CN(C)CC1CC2C([NH3+])CC2[NH2+]1,0,GDB MedChem
114195,CCC([NH3+])C(CC(C)[NH3+])(C(=O)[O-])C1CC1,0,GDB MedChem
5636,Cc1ccc2cnccc2c1F,1,GDB MedChem
6373,CCC#CC1=CCCC(C)C1,1,GDB MedChem
27463,CC(C#N)N(C=O)CC1CCC1O,1,GDB MedChem
211020,[NH3+]CCOC1CN2CCC12,0,GDB MedChem
30712,CC(C)C(O)Cc1cnno1,1,GDB MedChem
165765,CCCC1=CCC=CCC(C)(C)C1=O,1,GDB MedChem
314880,C#CC(=O)CC[NH2+]CC(C)=NO,0,GDB MedChem
136375,[NH3+]CCOCC12CC[NH+](CC1)C2,0,GDB MedChem
51625,CCC1CC2CC[NH2+]C1C=CC2CC[NH2+]C,0,GDB MedChem
69397,C#CCC(C)(O)C1(C=C)OCC1C,0,GDB MedChem
228222,CC1CC2C1=C1CC=CC1([NH3+])C2C,0,GDB MedChem
396265,C#CC(O)(C#N)C(CC=NO)C(O)C(C)O,0,GDB MedChem
91464,CCC(C)(CC)CC([NH3+])CC(C)([NH3+])CC(C)C,0,GDB MedChem
367258,CC1=C2C([NH3+])C(C)C2(C)CC1,0,GDB MedChem
13326,CC(CCc1[nH+][nH]cc2cncc1-2)OCCO,0,GDB MedChem
183793,CCCCCc1cc(C2CCCC2)c[nH]1,1,GDB MedChem
326117,CC1[NH2+]CC(C(N)=O)C2=CCC(=O)C21,0,GDB MedChem
44260,COC1C=CC2(CCC1)CC2,1,GDB MedChem
364432,CC=C(C)C1CC2(C3CC3)CC2O1,0,GDB MedChem
287292,CNC(=O)C1CC[NH2+]1,1,GDB MedChem
271261,C#CS(=O)(=O)N1CCC1C1(O)CCCC1=O,0,GDB MedChem
175461,CC1=CC2CCC=C2C2CC(CO)COC12,0,GDB MedChem
295064,C#CCOC(=O)NC(=O)C1(N)CCC1,1,GDB MedChem
222299,C#CC1COCCC(C(C)C)C(O)CO1,1,GDB MedChem
151902,CC#CC[NH2+]C1C(C)CC1O,0,GDB MedChem
240298,C1=CC[NH2+]CC2CCC2CC1,0,GDB MedChem
333221,[NH3+]C1C=CC(C[NH2+]CCO)C1,0,GDB MedChem
16888,[NH3+]CC1=CC2CC2[NH2+]C1,0,GDB MedChem
139388,N#CC1NC2CNC1(C[NH3+])C2,0,GDB MedChem
260473,NCc1[nH+]cc([O-])sc1=[NH+]CC1C[NH2+]C1,0,GDB MedChem
154091,COCC1=C(C)C=C2CC(=NO)C=C2NCC1,0,GDB MedChem
263040,CC([NH3+])c1ccc(C(CC#N)N2CCC2)o1,0,GDB MedChem
177920,CC#CC(O)C12OCC1CCOC2=O,0,GDB MedChem
155858,C#CC(C)(N)C(C#N)C(C)O,1,GDB MedChem
383540,CCn1ncc(C(C)[NH2+]C)n1,0,GDB MedChem
288771,COCC1=CC(C)=CCCC2C=C1CC2,0,GDB MedChem
232015,C=CC(C)OC1COCCCC1=O,1,GDB MedChem
81170,CCC1=CCOC2CC=C(C2)C(CC)[NH2+]C1,0,GDB MedChem
285141,CN1CC2C[NH2+]CC(O)COC2C1=O,0,GDB MedChem
59507,CCCC1C[NH2+]C(C)(CCC(C)(C)C#N)C1C,0,GDB MedChem
100525,CCc1cc(CCC(C)[NH3+])ccc1C#N,0,GDB MedChem
94285,C#CCc1sc(C(C)=O)nc1CO,1,GDB MedChem
154618,CCC1C[NH+](C2CC3CC32)C1,0,GDB MedChem
57612,C#CS(=O)(=O)CC=CC(=C)C(=C)C#N,0,GDB MedChem
151463,COCC#Cc1cc2ncc(C)cc2o1,1,GDB MedChem
191641,Cn1ncc(-c2ccco2)n1,1,GDB MedChem
255648,CCN1C(C#N)C2CC1C(C)(O)CCO2,0,GDB MedChem
395900,CCC1=CC([NH3+])C2(CC2)OC1C#N,0,GDB MedChem
72890,CCC(=O)C1COC2(CC2O)C(=O)N1C,0,GDB MedChem
22316,CC1=CC(=O)C(=O)C(CCO)=CC12CC2,0,GDB MedChem
380534,CC[NH2+]Cc1cc(N)cc(CC)c1Cl,0,GDB MedChem
333273,CC1=CC(C[NH3+])(C(C)([NH3+])CO)OC(CO)C1,0,GDB MedChem
141084,CC1CC12CCC1C(=NO)CC1C2,0,GDB MedChem
230850,CC1C[NH2+]CC2NC(=O)C1C2N,0,GDB MedChem
63939,CCC1=C(C)C(C2CCC2)=CCCCCC1,0,GDB MedChem
8845,C#CCC1CC=CC1OC12CCOC1C2,0,GDB MedChem
343853,CC1CCC[NH2+]C2C=CC1C2,0,GDB MedChem
62721,C=CCCCC(=C)N=c1occs1,0,GDB MedChem
259856,CCC1=CCC2=C(C1)C(=O)CC2=O,0,GDB MedChem
36629,CCC(=O)NCC([NH3+])C(C[NH2+]C)C(C)(C)C[NH3+],0,GDB MedChem
89587,CC[NH2+]CC1C2C=CC(C)C21,0,GDB MedChem
75773,O=C1CC(NCc2cncs2)CO1,1,GDB MedChem
354901,CCCC1OCC2=C3C(C=CC31)CC2O,0,GDB MedChem
274988,C=C(CC=C(C)C)N(C)C(=O)CC,0,GDB MedChem
20979,CC(=CC[NH3+])C(C)=Cc1cnon1,0,GDB MedChem
286591,Cc1nc(NC(=O)COCCC(C)(C)C)no1,1,GDB MedChem
174113,C#CS(=O)(=O)c1cc[nH]c1CCOC,0,GDB MedChem
117018,CC1=C2C(C[NH2+]C2C(C)C)C(=O)OC1,0,GDB MedChem
178546,CCOC1OC(=O)NC=CCC=CCC1C,0,GDB MedChem
170351,C#CC1=C(CC2CC2)CCC(C)(C)C=C1C,0,GDB MedChem
306669,CC([NH3+])CC1OCCOC1=O,0,GDB MedChem
197839,CC1CC[NH2+]C1C(=O)C1CC1O,0,GDB MedChem
335633,C#CC(O)(COC(C)(C)C)CC1CC1C#N,1,GDB MedChem
104844,CNc1cc2c(c(C)c1CCC(C)C)CCN2,1,GDB MedChem
195144,CC1=C(C(C)O)CC(C#N)=CC(=O)C1,0,GDB MedChem
127823,C#CC1C=CC(C)c2coc(c2)C=CC1C,0,GDB MedChem
313162,CN1CCC1(C#N)C(=O)OCCC(=O)[O-],1,GDB MedChem
288741,CC(=O)N1C(=O)NC=CC(C)C1=O,1,GDB MedChem
271627,CC1(O)CC=C(C([NH3+])CO)C1[NH3+],0,GDB MedChem
289688,Cc1cc(O)c(C[NH2+]Cc2ccccn2)n1C,0,GDB MedChem
243292,CC1C(=O)NC12CC([NH3+])C2N,0,GDB MedChem
226683,C=C(CC(=O)CC)c1nsc([O-])n1,0,GDB MedChem
271672,CC1=CC=CC2(CC2)c2cscc2C1C,0,GDB MedChem
343153,CCC(C)(C)CCC(=O)CC1(C)CC(=O)C1,1,GDB MedChem
72662,C=CC[NH+](C)C1CCN(C)CC1C,0,GDB MedChem
211374,CCC1(C[NH3+])C(C)C2[NH2+]CC21,0,GDB MedChem
163683,CC12CNCC[NH+]1C1CCC=CC=C1C2,0,GDB MedChem
11986,CCc1c(N)[nH+]c(C)c2ccc(C)c(C[NH3+])c12,0,GDB MedChem
133384,CC#CC(N)C1NC2C[NH2+]C21,0,GDB MedChem
333250,CN1CC([NH3+])CC(C)([NH3+])C1,0,GDB MedChem
268220,CNC(C#N)Cc1nccs1,1,GDB MedChem
165549,[NH3+]CC1C#CCC=C2CC=CC1CC2,0,GDB MedChem
341465,N#CC1CN2C(=O)C(O)C(O)CCC12,0,GDB MedChem
56889,C[NH+](CCC(O)C[NH3+])CCC1(CO)CC1,0,GDB MedChem
260508,CN(C)C1=C(C(N)=O)CC[NH+](C)C1(C)C,0,GDB MedChem
250786,CCC1CC1C(=O)C1CCCC2CC[NH+]1C2,0,GDB MedChem
248993,Nc1[nH]cc2c1CCCC#CCCCC2,1,GDB MedChem
211994,CNC(=O)COCC(=O)CC[NH2+]C,0,GDB MedChem
256249,CC(C)C#CC1([NH+](C)C)CC1C,0,GDB MedChem
352042,O=C(CNCc1cn[nH]n1)C1CC1,1,GDB MedChem
239018,C[NH2+]C1(C(O)CNC=O)C(C)CC1N,0,GDB MedChem
49189,CCCC1CC1C1C=CC(C)(O)C[NH2+]1,0,GDB MedChem
364128,CCCCCC1=CC(CCC(C)(C)O)OC1,0,GDB MedChem
209302,CC1CC=CC1(CCC(=O)[O-])[NH+](C)C,0,GDB MedChem
92249,C#CC(O)C12CCCCC(CC)=C1CC[NH2+]2,0,GDB MedChem
50765,CC(=O)CC(C)C1CC1c1cnno1,0,GDB MedChem
85259,CC1C2OCC=CC=CC12O,0,GDB MedChem
359015,O=CNC1CC2C[NH2+]CC1N2,0,GDB MedChem
145556,CCCC(CC)C(CC(C)CO)C(C)CCO,0,GDB MedChem
145402,Cc1cccc2cn(CC3CC3)cc12,1,GDB MedChem
285862,CC1OCC2(NCC2[NH3+])C(C)C(=O)O1,0,GDB MedChem
94335,CCC(C)(CC)CC(OC1(C)CC1)C(C)C,1,GDB MedChem
76351,CCOC1CC2=CC(=O)C3CC(O)CC213,0,GDB MedChem
38816,Cc1cc(C(=O)C2CC[NH2+]2)cs1,1,GDB MedChem
240335,CCCC([NH3+])c1c(C)cnc(C)c1C,0,GDB MedChem
121433,C=CC(C)C1=CC2CC(O)C2=C1C,0,GDB MedChem
301032,CCCc1oc2nc(=O)nc-2oc1C[NH2+]CC,0,GDB MedChem
3108,C#Cc1c(N)n(C)c(=O)n1CC1(C)CCCC1,1,GDB MedChem
178138,C[NH2+]C1C(=O)C=CCC1(C)CC1CC1,0,GDB MedChem
350629,CC#CCc1nc(N(C)C)co1,1,GDB MedChem
206532,CCC1C=CC2C=C(C)CC2O1,0,GDB MedChem
191608,OC1CC2CCOC1O2,1,GDB MedChem
117292,C=CCC(=O)NC(=O)C(C)NC=O,1,GDB MedChem
195138,COCc1ccc(N(C)C)s1,1,GDB MedChem
286410,C[NH2+]CCCC(C)(C)C1C=CCCCC=C1,0,GDB MedChem
107385,Cc1noc2c1C(C)(OC(C)C)CCCCC2,0,GDB MedChem
11982,CCC(C)C1[NH2+]CCC1C(C)C(C)(C)CC#N,0,GDB MedChem
211502,CC(C)C1=CCCCC#CCC(=O)C1C,1,GDB MedChem
224084,C[NH+](CCC1CC1)C1CC1C#CCO,0,GDB MedChem
21020,C#CC1(CCC)C(=O)OC(C)CC(C)C1C,0,GDB MedChem
293479,C[NH2+]C1C(O)C=CCC(C)(O)C1C[NH3+],0,GDB MedChem
300629,CC1C=CCC2C=CC[NH2+]C12,0,GDB MedChem
37886,[O-]c1ccc(CO)c(Cl)c1Cl,0,GDB MedChem
285342,CCC1=CC2C(C)CS(=O)(=O)C(C)OC2C1,0,GDB MedChem
136852,C#CCc1nc(C)n(C(C)CC[NH2+]C)c1CC,0,GDB MedChem
232180,CNC1(C#N)CCC(C(O)C[NH3+])C1,0,GDB MedChem
309879,N#CCC(COCCC[NH3+])NC=O,0,GDB MedChem
252835,CCc1cc(F)c2c(c1)CC(C)(C(C)(C)C)C2,1,GDB MedChem
349347,CC1CC(=O)C2=CCC(=NO)C2N1C,1,GDB MedChem
613,CCC1[NH2+]CCC2([NH3+])CCC12,0,GDB MedChem
265211,CC(C)C(CC(C)(C)C)C1=CCOC12CC2,0,GDB MedChem
86623,O=C1CC(O)CC1C1CCCCO1,1,GDB MedChem
360367,C#CC1(CCc2ccn(CC)c2)CCCC1C,1,GDB MedChem
353613,CC1C([NH3+])C(N)C(=O)N1C1C=CCCCC1,0,GDB MedChem
4515,C=CC12CC([NH3+])COC(CC1O)C2,0,GDB MedChem
63757,CCc1cc(C#N)cc2c1CC1(CC1)C2,1,GDB MedChem
178393,COC1C[NH+](C)CC=C1C,0,GDB MedChem
260509,CC(C)C1=CC(=O)OCOC1C,0,GDB MedChem
93358,C#CC1C2C=CC(C)=CC1C([NH3+])C(C)=C2,0,GDB MedChem
212058,CC#CC(=O)c1c(CC)cn2c1CCC2,1,GDB MedChem
228620,CCc1cc2c(cc1C)-n1ccc(=O)cc1C2,1,GDB MedChem
296973,C=C1COCC2(CC[NH3+])CC([NH3+])C12,0,GDB MedChem
198570,NC12C=C(CC#CC=CC1)CC(O)C2[NH3+],0,GDB MedChem
86643,C=CCC(=O)C#CC1(C(C)C)CC1,1,GDB MedChem
13315,C[NH2+]CC(C)(C)C1CC2C(O)CC2(C#N)C1,0,GDB MedChem
31452,CC1(O)C#CC(=O)C=C(N)CC(=O)C1,1,GDB MedChem
170722,CCC1(CC)C[NH2+]C2CCCC1CC2C(C)C,0,GDB MedChem
369505,COC1C=C(C)CC(C)=CC12CC2O,0,GDB MedChem
314309,C#CCc1cc2n(C)cc[nH]c=2c1=[NH2+],0,GDB MedChem
221494,CCCC12CC=CCCC1[NH2+]C2,0,GDB MedChem
38226,C=C1C[NH2+]C2(CC(CC[NH3+])C2)C1=C,0,GDB MedChem
161542,CCC(C#CC[NH+](CCC[NH3+])C1CC1)[NH2+]C,0,GDB MedChem
154237,CCC1(CO)OC(CO)C(O)C1C,0,GDB MedChem
162017,C#CC=C(C[NH3+])c1csc(C[NH3+])c1,0,GDB MedChem
102754,CCC(C(=O)C(C)(CC)CC)C1CC=CC1,0,GDB MedChem
365376,C[NH2+]CC1C2NC(=O)C(=O)C12,0,GDB MedChem
133416,N#CC(=O)N1CC2CC1C[NH2+]2,0,GDB MedChem
226762,C=C(CO)CC(C)=Cc1cnco1,0,GDB MedChem
291108,C#CC1C2CCC(=O)C12C(C)C1CC1,0,GDB MedChem
165775,CC1(C)CC(=O)CCCC1=O,1,GDB MedChem
216255,ON=C1C=CCC[NH+]2CCC=CC3C(O)C132,0,GDB MedChem
380702,CC1=CC2CCCC=C2C12CC2,1,GDB MedChem
138291,CCC1C[NH2+]C(C)CC(C)C1(N)C[NH3+],0,GDB MedChem
396052,C#CC([NH2+]C)c1cc(C#N)cc(Cl)c1[O-],1,GDB MedChem
116992,CCCCC[NH2+]CC(CC)CC(CO)C(C)=O,0,GDB MedChem
223826,C#CC(C)C1(N)CCCCC[NH+](C)C1CCC,0,GDB MedChem
254815,Oc1ccc2c(n1)CCCC2O,1,GDB MedChem
165898,CC1(C)C#CCCC2=CCCC2C[NH2+]1,0,GDB MedChem
86428,Cc1ccc2c(c1)Nc1c(ccc(=O)n1C)O2,1,GDB MedChem
140982,C[NH2+]C1C=CC2([NH2+]C)C(C#N)CCC2C1,0,GDB MedChem
179585,CC1OC(C[NH3+])OC2C[NH2+]C12,0,GDB MedChem
154169,C#Cc1cc(C)c(C[NH3+])o1,0,GDB MedChem
131192,CC([NH3+])C(C)c1oc(=N)ccc1CC(F)(F)F,0,GDB MedChem
52793,CCNC1=[NH+]CC(C)=CNC(=[NH2+])N1,0,GDB MedChem
33648,C[NH2+]CC1=CC(=O)N(C)C1,0,GDB MedChem
175156,CNC(N)=[NH+]C(CCC(C)O)c1occc1C,0,GDB MedChem
369546,Cc1c(N)c(Cl)c(Cl)c(C)c1C(C)(O)C[NH3+],0,GDB MedChem
40976,CCc1[nH]cnc1N(C)CC1C(C)C1OC,1,GDB MedChem
187978,C[NH2+]C1CCC(CCNCC#N)(OC)CC1,0,GDB MedChem
245688,CC1=C(C)CC(C(C)C)CC(CO)CC1,0,GDB MedChem
52562,C=CCc1csnc(C(C)=O)c1=NO,0,GDB MedChem
220034,CCC1(C#N)NCC(OC)C1=O,0,GDB MedChem
223362,CC1C=C2CC3C=CCC(=CC1)C23[NH3+],0,GDB MedChem
320042,CC(C)CC1=CC=CC=C(C#N)C12C[NH2+]C2,0,GDB MedChem
93948,C#Cc1cc(O)cc2coc3ncc(O)c-3c12,0,GDB MedChem
325968,COCCC=CC(=C(C)C)C(C)C,1,GDB MedChem
365403,CC(O)(CO)C1(C(O)C#N)CC1[NH3+],0,GDB MedChem
66892,OCC1CC(=C2CC=CC2)C1,0,GDB MedChem
240918,C#CC1(COC)COCC(C)=C(C)C1,0,GDB MedChem
326778,CCCN(CC)C1COC1=O,1,GDB MedChem
341516,C#CCC1(CCC[NH3+])CCOC(C)C1[NH+](C)C,0,GDB MedChem
283479,C=CC12C3=CC=CC1CC2C(=NO)C3,0,GDB MedChem
297304,[NH3+]C(CO)CC#CC1CCOC1,1,GDB MedChem
121430,CC1CNCC#CS(=O)(=O)CC2OC(=O)C2N1,0,GDB MedChem
327350,CC1CN2CC(=O)C[NH+]=C2N1,0,GDB MedChem
44274,[NH3+]CC1COC(C2(O)CC2NC=O)C1,0,GDB MedChem
254796,CCC1=C(C)C=C(C)C[NH+](C)C1,0,GDB MedChem
7568,CCC(C)([NH2+]C)C12CC([NH3+])CCC1C2,0,GDB MedChem
210892,C=CC(C)C1C=CC(C(N)=O)CC1,1,GDB MedChem
362107,COC1C(O)CC2CC1C[NH2+]2,0,GDB MedChem
58896,C#CC(C)(C)[NH2+]C(C)Cc1cn(CC)cc1C,0,GDB MedChem
275841,CCC#CC(=O)C1CC=C2CC(C)C21,0,GDB MedChem
27496,CC1CC2CCCC([NH2+]1)C(C)C2,0,GDB MedChem
161858,C#CC(=O)C1[NH2+]CC(C)C1C1(C)OCOC1=O,0,GDB MedChem
303011,CC1=CC2C=C(C)C1(C(=O)CC1CCC1)[NH2+]2,0,GDB MedChem
162219,C#CC1=CC(OC)C(C)C2C(=C1)C=CC2[NH3+],0,GDB MedChem
86798,CC1=CC(C)C#CCC2CC(=C1)CO2,0,GDB MedChem
102858,COCC(=Cc1nc[nH]n1)C(C)C,1,GDB MedChem
319702,C#CCC(CC)(CC)CC,1,GDB MedChem
283541,CCC1CC(C)(C)[NH2+]C(CC)C2CC(=O)C1C2,0,GDB MedChem
207158,O=C1CNCC2CC3C(=C12)CCCC3CO,0,GDB MedChem
263564,NC(=O)C1CCCOC1C(C[NH3+])CO,0,GDB MedChem
127973,[NH3+]CCOC1OC2C[NH2+]CC2C1(O)CO,0,GDB MedChem
171206,CCC1=C(C)CCC23CCC2[NH2+]CC13,0,GDB MedChem
216074,CC1OCC2CC(C[NH3+])C[NH2+]C21,0,GDB MedChem
23210,Cc1sccc1Nc1occ2ccccc12,1,GDB MedChem
368367,COCC1C2CNC1C(=O)O2,0,GDB MedChem
293472,CCCC(CC)C1Cc2c(C)sc(CC)c2C1,0,GDB MedChem
395509,CCCCc1cnc2sccnc1-2,0,GDB MedChem
232529,CC12C=CCC3=CCC(C=C1)C32,0,GDB MedChem
216259,C#CC(C)C1OCS1(=O)=O,0,GDB MedChem
105800,CCOCC([NH3+])C(CC)C1(CC)CC1C,0,GDB MedChem
43448,[NH3+]CCC1=C2CCCC2CCC[NH+]2CCC12,0,GDB MedChem
348351,CC1=C(CO)CCC(C)C(C)C1,0,GDB MedChem
367583,C[NH2+]C1C#CC2C=CC(C)C(=CC2)C([NH3+])C1,0,GDB MedChem
194134,C#CCC1CC=CC(n2cccc2)C1C,0,GDB MedChem
62875,CC1=CCNC(=O)C=Cc2ncoc2C1,1,GDB MedChem
20988,N#CC1=CC(O)C=CC(C#CCO)=CC1,0,GDB MedChem
301864,[NH3+]C12C#CCC3=CC(NC1C2)C(=O)NCC3,0,GDB MedChem
272115,CC(=O)C1=CCCC=C(C)C(CCO)=C1,0,GDB MedChem
200297,c1coc(=NCCOC2CC2)[nH]1,1,GDB MedChem
183934,C#CC1C=C(C[NH3+])NC(=O)C1C,0,GDB MedChem
168928,CC1C(C)C2(C=CCC[NH2+]C2C)N1C,0,GDB MedChem
393774,COC1(CC[NH3+])C2C[NH+](C)CC21,0,GDB MedChem
266927,CCC(CC)(CC)OCCO,1,GDB MedChem
6223,C#CC(CCC)OCC(=O)OCC,1,GDB MedChem
131174,COCCCC1CCCOC12CC2,0,GDB MedChem
165790,O=C1NCC=Cc2cc(=O)[cH-]cc21,0,GDB MedChem
187373,C#CCC(c1cc[nH]c1)C1(C)CCC2CC21,0,GDB MedChem
332014,C=C1CC[NH+]2C(C)C3=CCC(C1)C32,0,GDB MedChem
53646,C#CC(C)(C(=O)COC)C(O)C#N,0,GDB MedChem
139392,COCC(CCCC1CC=CCO1)C(N)=O,1,GDB MedChem
115696,C=CCOCC=CC(=CN)C(C)=O,0,GDB MedChem
253365,O=c1occ(C2CCC2O)o1,1,GDB MedChem
123561,CC1(C)CC2C[NH2+]CCC[NH2+]CC=C21,0,GDB MedChem
118806,[NH3+]CC#CC[NH+]=c1[n-]ccc[nH+]1,0,GDB MedChem
35375,[NH3+]C1C(O)C1C1C=CC[NH2+]1,0,GDB MedChem
13294,CCOC(C)(C)C1=CN(C(C)C)CC1=O,0,GDB MedChem
285140,CC1CCN(c2c[nH]c(CC3CC3)n2)C1,1,GDB MedChem
315953,C#CC([NH3+])C1C(CCCC)OCC(C)N1CC,0,GDB MedChem
284981,Cc1cc(N)c(C(C)(C)[NH+](C)C)n1CCCO,0,GDB MedChem
356073,CCOCc1ccc(CC)cc1,1,GDB MedChem
164901,Cc1cc(C(=[NH2+])NCCC#N)c(C)cn1,0,GDB MedChem
127567,C#Cc1[nH]c2cc1C([NH+](C)C)CCC[NH2+]CC2,0,GDB MedChem
58145,CC[NH2+]C1CC1CC(C)(C)C,0,GDB MedChem
179004,CCC[NH2+]CCc1csc(=[NH2+])c(C)c1N,0,GDB MedChem
198207,CC1C(NC2C=CCOC2)CS1(=O)=O,1,GDB MedChem
107619,COC12CN(CC1[NH3+])C(C)C2O,0,GDB MedChem
205344,CC(=O)NCC1CCOC(=O)C#CC(=O)N1,1,GDB MedChem
199320,C#CC(C)NC(=O)NC(=O)CC[NH3+],1,GDB MedChem
9277,C[NH2+]CC(C)N1CC2OCCC21,0,GDB MedChem
83179,CC1C2C[NH2+]C1C1(CCC1)C2,0,GDB MedChem
22327,CCC(C)(CC)C(C)(C)O,1,GDB MedChem
278618,CC(=NO)C1=CCC=C(CC#N)CCC=C1,0,GDB MedChem
206525,NC(=O)C1(C2CCC2C2CC2O)CC1,0,GDB MedChem
262903,CC([NH3+])CC#CC1C=CCCC[NH+]1CCO,0,GDB MedChem
292486,COC1CCC1C(O)C(O)C(N)=O,1,GDB MedChem
64129,CC1CC12C=CCC=C1CC=C(C=C2)C1,0,GDB MedChem
369158,CCCOC1CS(=O)(=O)C1,1,GDB MedChem
273574,COCC1=CCCC2CC2(CC#N)C[NH2+]C1,0,GDB MedChem
193385,CNC(NC(C)(C)CCC[NH3+])=[NH+]C,0,GDB MedChem
301023,CCC(C)C(CO)[NH+]1CC2CCC(C1)C2CC,0,GDB MedChem
34037,CCCc1cc2c(cn1)C(=C1C[NH2+]C1)CC2,0,GDB MedChem
132784,CC#CC1C[NH+]2CCC12CO,0,GDB MedChem
319456,CC1(C)CCC=C1CCC1CC=CC1,1,GDB MedChem
105189,CC(C)[NH2+]C1CC=C2CCC(C3CC3)C21,0,GDB MedChem
13407,C#CCN=c1nc(C#N)occ1C(C)=O,0,GDB MedChem
217814,[NH3+]C1C2=C(CO)C(CCOCC=C2)C1O,0,GDB MedChem
161569,C[NH2+]CC1CC=C(CCO)C2C1C[NH+]2C,0,GDB MedChem
387114,CC(C)C(C)C12CCCCCC(OCC1)C2C,0,GDB MedChem
226722,C#CC1COC2CC2(C#N)N1,0,GDB MedChem
63252,CC1COCC(CC(=O)[O-])CC(C#N)CC1O,0,GDB MedChem
336503,CC(C)N(C)c1cc(CNCC[NH3+])c(N)s1,0,GDB MedChem
13665,CNC1C2=CC=CCCC=CC2C1[NH3+],0,GDB MedChem
223379,CC1=CC(O)C(C2(C)COC2)C=CC1,0,GDB MedChem
51244,C#CC(N)(C#N)C1(N)CCC1[NH2+]C,0,GDB MedChem
84105,CC1CC=CCC2C=CS(=O)(=O)C12,0,GDB MedChem
58209,C#Cc1c(C)c(C)cc2c(CCC)c(C)oc12,1,GDB MedChem
296708,CC1OCC(CO)C2[NH2+]CC12N,0,GDB MedChem
212493,CC=C1C(=O)NCCOC(C)C1O,1,GDB MedChem
377359,CCC1=C2CCNC(=O)CC2C=C1,0,GDB MedChem
301014,C#CC(C)[NH2+]C1CCCCC12CC2,0,GDB MedChem
152667,CCOC(=O)C1OC2CC[NH2+]C21,1,GDB MedChem
32369,CC1(C[NH3+])COCC(CO)O1,0,GDB MedChem
16575,C#CCC[NH+](C)CC(=CC)CC=C,0,GDB MedChem
138688,N#CC1CC2C=CC(C1)C([NH3+])CC2[NH3+],0,GDB MedChem
368650,Cc1ncccc1C[NH2+]C1CCC1=O,0,GDB MedChem
14825,C=C1CC2OC(C)(C(C)(C)C)OC12,1,GDB MedChem
183963,CC(=O)C1C(N)=C(C)S(=O)(=O)C1C,0,GDB MedChem
63797,C#CC(=O)C(C)([NH2+]C(C)C)C1CC(C)(C)C1,0,GDB MedChem
384055,C#CCC1CC(C)C(C)[NH+](CCC)CC1(C)C,0,GDB MedChem
198400,O=C1C=CC#Cc2cnc([nH]2)C(O)CN1,1,GDB MedChem
219304,CC1=CC(C)C2CC=CC1(C)C2,0,GDB MedChem
282395,CC#CC1=C(C)n2cccc2CCC=C1,0,GDB MedChem
388114,CC1CCCC(C[NH3+])C1[NH3+],0,GDB MedChem
21669,CCNc1cc(C)c2c(c1)CC1OCC21,0,GDB MedChem
295087,CC1=CC(=O)OC1(C)C#N,1,GDB MedChem
71853,CC1=CCC=C1C[NH2+]CC=CCO,0,GDB MedChem
141437,C#CC1=CCC2(C)CC3C[NH2+]C3CC12,0,GDB MedChem
182689,Cc1nc(C)n(-c2coc(C)c2)n1,1,GDB MedChem
277505,C#CC1=CC[NH+](C2(CC)CC(CO)C2)C1,0,GDB MedChem
362470,C#CCC1CCC(C(C)O)OCCC1C,0,GDB MedChem
249776,CCc1c[nH]cc1C1COC2(CC=CC2)O1,1,GDB MedChem
149271,CC1C=CC(=O)C=CC2=CCCC2=C1,0,GDB MedChem
240849,CCc1cccc(C[NH+](CC)C(C)C)c1CC,0,GDB MedChem
293963,CCCC(N)(C[NH3+])C1(C)C[NH+](C)CC2CC21,0,GDB MedChem
314293,[NH3+]C1CC(CC#CCCNC=O)C1,0,GDB MedChem
52576,[NH3+]CC#CC1CC23C(=CCC12)C=CC3O,0,GDB MedChem
198510,CCC1C(C)C2OCC1(C#N)O2,0,GDB MedChem
137480,CC#CC1(N)C([NH3+])CC2NC1CNC2=O,0,GDB MedChem
178521,CCC1=CC2CC([NH2+]CC2CO)C1C,0,GDB MedChem
198919,Cc1csc(OC2CCC([NH3+])CC2)n1,0,GDB MedChem
214959,CC1=CC(C2CC2[NH3+])=CCC(=O)N1,0,GDB MedChem
226454,CC1=CCCC2C(O)C(C)(C)C12,0,GDB MedChem
336542,C=CC1NC(=[NH2+])NC2CC[NH2+]C1C2,0,GDB MedChem
275791,CC1CC(C)(C2CCC[NH2+]CC(=O)C2)NC1=O,0,GDB MedChem
223377,C#CC[NH+]=C(N)NC(C)C,0,GDB MedChem
73905,CC1(N)C[NH2+]CCC#CC(CO)OC1,0,GDB MedChem
170884,C=C(CC(C)C)n1cccc1C[NH3+],0,GDB MedChem
191251,CCC1=CC2(C[NH3+])C=CCCN2CC1,0,GDB MedChem
10496,CC1(CC#CC[NH3+])C=CCCO1,0,GDB MedChem
4414,CCC(CC)C1CC1(C)CO,1,GDB MedChem
9048,CCC12C(=O)CC=CCC(=O)C1OC2=O,0,GDB MedChem
337569,CC1=C(C(C[NH3+])CCO)CC2(CC2)C1,0,GDB MedChem
381334,CC(C)CCC1CC2CC(N)C([NH2+]2)C(C)(C)[NH2+]1,0,GDB MedChem
343833,C=CCC12C[NH2+]CC(OC1=O)C2O,0,GDB MedChem
367433,COC1CC2CC(c3cccc(N)c3)C1(C)C2,0,GDB MedChem
119147,C#CC(O)COCC(C)C1CC(=O)C(C#N)C1,0,GDB MedChem
226310,CCC(C)OCC1CCC(C(C)C)CC1(C)C,1,GDB MedChem
237881,CC1=C(C[NH3+])C(O)CCOCC1,0,GDB MedChem
43828,C#CC1CC[NH+]1CC(O)CO,0,GDB MedChem
163996,C1=CC[NH+]2CCC2CC2NCC[NH2+]CC2C1,0,GDB MedChem
302100,CCC1=C(C(O)C2COC2)C2C=CC1O2,0,GDB MedChem
122648,CC(C)(O)C=C1C=CC2(CC2)[NH2+]C1,0,GDB MedChem
67199,CCC12C=CC3[NH2+]CCC3=CC1C2,0,GDB MedChem
177685,C#CC1C2CC=C(COCC)C(CCC)C12,0,GDB MedChem
153486,CC(=O)CN(C)Cc1nc(C)cc2snnc12,0,GDB MedChem
93391,COC1CC(C)(C)NC1=O,1,GDB MedChem
88897,CC1C(=O)OCCC(=C2CCCN2)C1=O,0,GDB MedChem
35351,CCCc1ccn(CCC#N)c1,1,GDB MedChem
221826,C#CC(COCCC[NH3+])c1nc(O)co1,0,GDB MedChem
301336,CCC1CCc2cc(C)c(COC)cc2OC1,1,GDB MedChem
388102,CNC(=[NH2+])c1nc2c(c3c1CC=C3)CC=C2,0,GDB MedChem
359618,C#CC12OCC=C1CC1CC(C)CC12,1,GDB MedChem
66533,CCC1=CC(C)CCC2C(CC)OC12C,1,GDB MedChem
13344,CC1=CC2OC(C)OC2CC=CC=CC1=O,0,GDB MedChem
53409,CC(C)(C)C1CC1CC1([NH3+])C=CCC1,0,GDB MedChem
268812,[NH3+]CC1C(=O)N2CC=CCC2=C1CO,0,GDB MedChem
366692,COC1C(NCC[NH3+])C1(C)[NH3+],0,GDB MedChem
220802,[NH3+]CCCC1(C(=O)[O-])COC1,1,GDB MedChem
332123,[NH3+]C1CCC2=C1CC1=CC#CCCCCC12,0,GDB MedChem
29895,CC1=CC=C2COCC2(O)C=C1,0,GDB MedChem
169935,COC1CC12CC(C)CC2[NH3+],0,GDB MedChem
376571,C#CC1(N)C=CC=CC(=O)NC1=O,0,GDB MedChem
122308,CCOCCC(CCC(C)C)C(C)(O)CO,0,GDB MedChem
369186,C#CC1=CCC2(CC=C1)OCC2CC,0,GDB MedChem
94517,CCNC1C([NH2+]C)C(=O)NCC2CC21C#N,0,GDB MedChem
209282,CC(C#N)C1(c2ccn(C)n2)CCCC1,1,GDB MedChem
14856,CC#CC1(CC)[NH2+]CC1COC,0,GDB MedChem
138307,CCC1CC2CC(CCC(=O)N1C)CCC2C,0,GDB MedChem
142710,C#Cc1[nH]c(=[NH2+])c(C)cc1C[NH3+],0,GDB MedChem
117048,CC1(O)CC(NC=O)CC1C(O)C[NH3+],0,GDB MedChem
192415,CC1c2ccc3c(c2C(O)C1O)CCC3(C)C,1,GDB MedChem
27638,CCCC1(C[NH3+])COC(C(C)(O)C[NH3+])C1CC,0,GDB MedChem
37894,CC1=CCC2=C(NCC2=O)C(O)C1=O,0,GDB MedChem
9316,CCC(C)c1csc(=[NH2+])c2c1CCC=C2,0,GDB MedChem
261826,C[NH2+]CCC[NH2+]C(C)CCOC,0,GDB MedChem
104536,C#CC(c1cccc(=[NH+]C)n1C)N(C)C,0,GDB MedChem
196209,O=C1OCC2[NH2+]CCC(CO)C12,0,GDB MedChem
149047,CC1=C(C)C2CCCC2([NH3+])C=CC=C1,0,GDB MedChem
169245,CC([NH3+])C(O)C12COC1CO2,0,GDB MedChem
301053,CC1CC2=CC(CC3CC3C1)S(=O)(=O)C=CC2,0,GDB MedChem
9311,CCC1CCC(OCC#N)CCC(C)(C)CC1,0,GDB MedChem
185892,C#Cc1cc(CCCO)c(N)nc1C(C)[NH2+]C,0,GDB MedChem
314615,Cc1ccc2csc(=[NH2+])cc2c1C(C)(C)[NH3+],0,GDB MedChem
63250,COC1C=CCC12[NH2+]CC(C(N)=O)C2O,0,GDB MedChem
270671,CC1=CC=CC2=C(CC(=O)C1)NS(=O)(=O)C2,0,GDB MedChem
104852,ON=C1CCC2CC2OC1,0,GDB MedChem
208033,CC1=CCC2(C)[NH2+]CC(CC[NH3+])=C2C(C)C1,0,GDB MedChem
310524,OCC12CCC1C[NH2+]CCCCOC2,0,GDB MedChem
36068,C#CC1(C)CC[NH2+]CC(C(C)(CC)CCC)C1,0,GDB MedChem
133597,CCC1[NH2+]C2C(C)C2CC=C1CC#CC#N,0,GDB MedChem
128160,C=CN(C=C)C(N)=[NH+]CC=CC#N,0,GDB MedChem
278672,[NH2+]=C1NCC2(C=C(C[NH3+])CC2)N1,0,GDB MedChem
31483,Cc1cc(N2CC(C3=CC[NH2+]C3)C2)c(C)o1,0,GDB MedChem
237805,CC(=O)C1(C)OCCC1=C1CC(C)C1,0,GDB MedChem
389833,O=CNC1CCC2CC21,1,GDB MedChem
174515,CC1[NH2+]CCC=C2C=C3CCC3C21C,0,GDB MedChem
109266,C=CC1OCCC1(OC)C(=C)CO,0,GDB MedChem
273711,C[NH2+]CCC1C(C(C)(C)[NH2+]C)C(=O)CN1C,0,GDB MedChem
138468,CCCC1=C(CC2=CCCC2)CCCC1,1,GDB MedChem
68579,CCC(O)(CO)CC1(C)CCC1,1,GDB MedChem
67110,CC1=CCC(C)[NH2+]CC=C(CO)C1C,0,GDB MedChem
202188,CC1=CC=CCC2CC[NH+](C)C12CC[NH3+],0,GDB MedChem
258947,CCC1C(C)=CC(O)C1C1C=CCC[NH2+]1,0,GDB MedChem
248033,C[NH2+]CC(O)CC#Cc1c[nH]nc1N,0,GDB MedChem
19059,CCN(C=CC1CC1O)C(=O)OC,0,GDB MedChem
179712,CCOCC1C2=CCC(C)C2C1[NH2+]C,0,GDB MedChem
367366,OCCC1[NH2+]C2CCCC=C12,0,GDB MedChem
205692,C[NH2+]CC#CC1(O)C=CC2CC21,0,GDB MedChem
81368,CC[NH2+]C1C(O)CC([NH3+])CN2CCC12,0,GDB MedChem
513,Cc1oc(C2CCC=CCC2)c(C)c1N,0,GDB MedChem
45554,C#CC(=O)c1ccnc(NC)c1,1,GDB MedChem
66208,C[NH2+]CC(O)C(C)(C#CC(C)=O)C(C)=O,0,GDB MedChem
25919,CC(C(C[NH3+])CC#N)n1cnnc1CO,0,GDB MedChem
345052,C#CC1C2CC(C)C1C(=O)N2,0,GDB MedChem
106283,CC(C)CCNC(=[NH2+])NC=O,0,GDB MedChem
276935,NC(=[NH2+])c1cc(C(=O)[O-])nc2ccsc(=O)c12,0,GDB MedChem
117764,C(#CC1CC1)C1=CC[NH2+]CC12OCCO2,0,GDB MedChem
138038,CCC(=O)C(O)C1C(O)C1(C#N)CCO,0,GDB MedChem
33021,CCOc1cc2ccc(C(C)=O)n2cn1,1,GDB MedChem
38001,Cn1nnn(C)c1=NC1=CCOC1(C)C,0,GDB MedChem
116315,CC1C(C#N)=CCOC1C=CC[NH3+],0,GDB MedChem
170900,CC(C)CCc1cc2oc(C#N)nc2o1,1,GDB MedChem
293696,O=C1CC[NH2+]C1CO,0,GDB MedChem
576,C[NH2+]C12C(=O)N(C)C1COCC2N(C)C,0,GDB MedChem
171111,CC1CCC2(CCO2)C2CC2O1,0,GDB MedChem
26501,CCOCC1CCN1CC(CCC#N)[NH2+]C,0,GDB MedChem
214971,C#Cc1c(OCC)ncn1C,1,GDB MedChem
266817,CCCOC1OC2(CC2)CC1=O,1,GDB MedChem
111846,C1OCC2CC1CO2,1,GDB MedChem
76903,CC(C)(C[NH3+])Cc1c(F)ccc(F)c1C[NH3+],0,GDB MedChem
299900,O=S1(=O)C(CCO)=CC(c2ccsn2)CC1O,0,GDB MedChem
329872,CCCCC1CC2CC1(CC(C)O)C(=O)C2=O,0,GDB MedChem
228080,CCC1CC(=O)CC2(C)CC[NH+]2C1,0,GDB MedChem
239672,CCOCC1NC2C(=O)OC12,1,GDB MedChem
319094,Cc1oc(OC2C[NH2+]CC2O)nc1C(N)C#N,0,GDB MedChem
125332,C#CC1OCOCC=C1CC(=O)CO,0,GDB MedChem
367559,CC1OC2(C#N)C=CCC2=C2CCC21,0,GDB MedChem
11977,C#CCC(O)Cn1cc[nH]c1=[NH2+],0,GDB MedChem
28812,[NH3+]CC1OCC2(CCO2)C1[NH3+],0,GDB MedChem
342754,C#CCCCCCC(C)(C)c1[nH]ncc1CC,0,GDB MedChem
64581,CCc1cc(N2CCCOC2=O)co1,1,GDB MedChem
208204,C=C(C)c1sc([O-])nc1OCC#N,0,GDB MedChem
161890,CNC(=O)NC1C2COC(C2)C1[NH3+],0,GDB MedChem
210914,CC1C(=O)CC1C1C[NH+]=C(N(C)C)N1C,0,GDB MedChem
131121,COC1C(=O)C#CCNCC=C1C#N,0,GDB MedChem
300634,COC1C(=NO)C(C#N)OCC1C(C)O,0,GDB MedChem
255756,[NH3+]C1COCC2C[NH2+]CC=C2C1NC=O,0,GDB MedChem
164081,CC1C[NH2+]CC1(C)COC(C)(C)CC1CC1,0,GDB MedChem
31575,CCC1C(C#N)C=CC2([NH3+])C=CCC12,0,GDB MedChem
171935,CCC1=C2CC(C=CCC(C)CC2C)[NH2+]C1,0,GDB MedChem
308081,CCCCC1(C(C)(CC)OC)CCCC(=O)C1,0,GDB MedChem
94320,CC1([NH2+]CC[NH3+])CC=CC=CC1,0,GDB MedChem
113878,CC1CC1C(O)CC(=O)[O-],1,GDB MedChem
357259,C1COC2(CCCC2)CC(CC2CC2)C1,1,GDB MedChem
190969,[NH3+]CCC1(CCOCCO)CCC1,0,GDB MedChem
9173,C#CCOC1CC(C[NH2+]C)=CS1(=O)=O,0,GDB MedChem
277477,CCOC(CC)(CO)C(O)C(C)[NH2+]C,0,GDB MedChem
161838,CC1=CC2([NH3+])C=C(CO)C(C2)C(S(=O)(=O)[O-])C1,0,GDB MedChem
102523,CCCC1CC=C(n2ncsc2=N)CC1,0,GDB MedChem
267411,CCC1CC(C[NH3+])CC=C1C,0,GDB MedChem
384058,CCC1C=C2NC(=[NH+]C)NC2C1,0,GDB MedChem
163743,Cc1cc(C#N)nc(-c2ccoc2)c1C,1,GDB MedChem
179519,CC1COCCC2(CC#N)CC12,0,GDB MedChem
76522,CC1=CC2CC(C)(C=C(C)C2C#N)COC1,0,GDB MedChem
333286,Cc1cc(O)cn1CCO,1,GDB MedChem
257882,C#Cc1oc(CCCc2cnccn2)cc1C,1,GDB MedChem
44854,CCC1CCC([NH3+])CC2COC(=O)C1C[NH+]2C,0,GDB MedChem
10896,Cc1snc(CCNC(=O)C2CC2)c1N,0,GDB MedChem
256932,C#CCC1=CC(C)C2(CCC2)C1,0,GDB MedChem
15014,C#CC1CC(C)O1,1,GDB MedChem
228115,CCOC1CC2(C)C(O)C=CC12,1,GDB MedChem
62221,O=C1C2NCCC(O)(C1[NH2+]CCO)C2C(=O)[O-],0,GDB MedChem
16922,CC1C(=O)C(C(C)S(C)(=O)=O)OC12COC2,0,GDB MedChem
101809,CCc1cc(N(C)C2CC2)co1,1,GDB MedChem
292358,O=C1CC(c2cncnc2)N1,1,GDB MedChem
44181,C#CC1CC2OCCCC=C(C[NH2+]1)C2C[NH3+],0,GDB MedChem
235459,C#CC1CC2=C(C[NH2+]C2)CC2CC12C,0,GDB MedChem
122770,CCC(CO)(C1=CC2C=CC1[NH2+]2)C(N)C[NH3+],0,GDB MedChem
124948,COCCC(C#CC(=N[O-])C(C)(C)O)=NO,0,GDB MedChem
139446,Cc1c(CN(C)C=O)cnn1C,1,GDB MedChem
35223,CC1CC2(CC2[NH+](C)C)N1C,0,GDB MedChem
286969,CCC1=CC=CC2C(=O)CC=C2C=C1CO,0,GDB MedChem
7475,CCC(O)CCCC(C)(C)C(C)C1CCCC1,0,GDB MedChem
368933,C[NH2+]CC(C)C1CCC2(C(C)(C)[NH3+])CCC1C2,0,GDB MedChem
240757,C#CC(C)C(=O)C(C)OCC,1,GDB MedChem
248071,CC#CC1(CO)CC(C=NO)OC(=O)C1O,0,GDB MedChem
390325,C#CC1(C)OC(C)C(C)C1[NH2+]C,0,GDB MedChem
273771,C#CCC1(c2cnnnc2CC)C[NH2+]C1,0,GDB MedChem
7663,CC(=O)CCC1=CC(C)C(=NO)CCC1O,0,GDB MedChem
131412,CC1OCC=CC1C(O)C1([NH3+])CC1,0,GDB MedChem
267456,C#CC1OC(COC)C1C(C)C,0,GDB MedChem
227664,CC(C)C(=O)Cc1cnnn1CC(N)=O,1,GDB MedChem
50779,CC1CC(C)C2(C1)C(C[NH3+])CCCCC2C[NH3+],0,GDB MedChem
123646,CCC1CCC(C)=C2C1=CC1(OC)C([NH3+])C21,0,GDB MedChem
17248,CCCC1CC2CC3=CCC1C32CO,0,GDB MedChem
293941,C=CC1CC12COC(CO)C(C)C2,0,GDB MedChem
178209,Cc1cc2c(c(=O)o1)CCC([NH3+])C([NH3+])C(C)C2,0,GDB MedChem
183751,CC1(C)CC2=CCC=CC#CC(C=C2)O1,0,GDB MedChem
169781,CC(=O)C=C1CC2(CC2O)NC1=O,0,GDB MedChem
181203,CCOC(=O)C(C)(O)CC,1,GDB MedChem
239890,C=C1C2=C(CCCC2)COC12CC2,0,GDB MedChem
227659,COCC1(C)C[NH2+]CC2C([NH3+])C21,0,GDB MedChem
342732,C#CC1(O)CC(C[NH3+])=CC(O)C1,0,GDB MedChem
72779,CC#CC1CC2(C)CCC=CCCC2[NH+]1C,0,GDB MedChem
64137,COC1CC2(CCO2)C1,1,GDB MedChem
9163,CC#CCNC1C([NH3+])C1C=CCC,0,GDB MedChem
266958,[NH3+]CC#CC1CC12CC(O)C2,0,GDB MedChem
14763,CC#CC1C=CC2(CO)CC(=O)C2C(C)C1,0,GDB MedChem
200623,CC1[NH2+]C2C(CC[NH3+])C2C2=C1CCCOC2,0,GDB MedChem
320355,CCC1(CC2CC2)[NH2+]C2CC21,0,GDB MedChem
361042,CC1C[NH+](CCC2CCCC2(C)C)C1C,0,GDB MedChem
388181,C#CC(CCNC(C)=O)C[NH2+]C,0,GDB MedChem
154136,ON=CC1=CC2=CCCC3(CC3)C[NH2+]C1C2,0,GDB MedChem
241207,CNC(C#N)CCC1([NH3+])C(N)C1C[NH2+]C,0,GDB MedChem
285397,CCCC1CC2CC2c2cccnc21,1,GDB MedChem
290727,C#CCC1(c2cccs2)CCC1,1,GDB MedChem
384927,CC([NH3+])C1C(=O)OCC1C1CC[NH2+]1,0,GDB MedChem
36315,CCC1=C(C)C2C(=CC(=O)C2C(C)(C)C)C1,0,GDB MedChem
283160,Cc1ccc(C#N)c2c1CC(C)CCCN2C,0,GDB MedChem
30469,C#CCC1C2[NH+](CC)CC=CC12CC,0,GDB MedChem
281534,[NH3+]CCC1(CCN(C=O)C2CC2)CC1,0,GDB MedChem
144061,CC(=O)C1CC2=CCCC2OCO1,0,GDB MedChem
17269,C#CC(C)(C)C(=O)NC1CC(O)C1,1,GDB MedChem
287546,CC(C)NC1(C)C(=O)OCC(=O)C1O,0,GDB MedChem
38797,CC1C=C2C[NH2+]C2(C)CN1CCO,0,GDB MedChem
277537,CC#CC1=CC2(CC=CCC=CC2)C(=O)C1,0,GDB MedChem
288743,C#CC1CS(=O)(=O)CC(c2ccsn2)O1,0,GDB MedChem
191849,CC1OC2C3CCC3=CCC12,0,GDB MedChem
57032,CCC(C)c1csc2c1CC(C)CC(C)C2C,1,GDB MedChem
56703,Cc1cc2n(c1)C=CCC(CCCC#N)=C2,0,GDB MedChem
136977,NC(=[NH2+])NCCc1coccc1=[NH2+],0,GDB MedChem
175440,C[NH+](C)CC1CCC(=O)CC1,0,GDB MedChem
48793,CC(O)CC(CO)C([NH3+])CC(C)C(N)=O,0,GDB MedChem
52807,N#CC(C1OC(=O)C1O)N1CCC1,1,GDB MedChem
75278,CC1CC12CC(C#N)C(=O)C2O,0,GDB MedChem
215160,CCC(CC)CC=CC(C#N)CO,1,GDB MedChem
297428,COC1COC2(C=CCC2C)C[NH2+]C1C,0,GDB MedChem
56332,COC1(C)CCNC(=O)C1O,1,GDB MedChem
122561,CC1CCCCc2c(csc2N(C)C)C(=O)O1,1,GDB MedChem
329865,[NH3+]CC1(O)C2C[NH2+]C1CCN2,0,GDB MedChem
320091,[NH3+]C1CCC[NH2+]C2CCOC2OC1=O,0,GDB MedChem
94575,C=C1C(C[NH3+])OC(OCCO)C1[NH3+],0,GDB MedChem
116219,CC1=Cc2nc[nH]c2C#CCC(=O)C(=O)C1,0,GDB MedChem
49191,C[NH2+]C1C(N)CC(=C(C)CO)C1N,0,GDB MedChem
96118,C#Cc1ccn(CC([NH3+])C2CC2)c1,0,GDB MedChem
182687,CCCC1=C(C#N)C(=O)CC1,1,GDB MedChem
100523,CCCC(C)C(C)(C)C(C)C(O)CCCC#N,0,GDB MedChem
349037,CN(C=O)c1ncoc1OC1(C)CC1,1,GDB MedChem
248101,O=C1CC=CC(C2CC2)N1,1,GDB MedChem
331108,CCOC12CC=CC(C1)[NH2+]C2C#CC#N,0,GDB MedChem
355528,COC(CC(O)C#N)C1CC1O,1,GDB MedChem
223807,CCc1cc(C(O)CCO)c(N)[nH]1,1,GDB MedChem
206126,CCCCC1=CC=CCC(=O)C1,1,GDB MedChem
114258,CC1=CC=Cc2c(cc(C)nc2C)CC#C1,1,GDB MedChem
102825,C#CC(C[NH3+])Oc1cn[nH]c1,0,GDB MedChem
169717,C#CC(C)(C)OC(=O)C1CC2CC(=O)CC2C1,1,GDB MedChem
43422,N#CC(O)CC(C#CC[NH3+])C[NH3+],0,GDB MedChem
290392,CC1(C[NH3+])CC1[NH+]1CCC(S(=O)(=O)[O-])C1,0,GDB MedChem
391240,C=C1COCCCC(=CCC)C1=O,1,GDB MedChem
166990,N#CC1C2[NH2+]C(CC3CC3)C12,0,GDB MedChem
105857,CCCOc1cc(CC)c(N)s1,1,GDB MedChem
308091,[NH3+]C(CC1CNC1=O)C(O)C1([NH3+])CC1,0,GDB MedChem
300612,NCC(CO)[NH2+]C1CC2C=CCC21O,0,GDB MedChem
301366,CC(O)C1(C#N)CC2C[NH2+]C21,0,GDB MedChem
18483,[NH3+]CC1CCC(O)C2(CNC2=O)O1,0,GDB MedChem
380987,C#CC1C([NH3+])C(CC[NH3+])=CCCCN1C,0,GDB MedChem
72625,CC(C)=C1C=C(CCO)C2CC12[NH3+],0,GDB MedChem
210479,C#Cc1c(CC)sc2c[nH]c(=[NH+]CC)cc12,0,GDB MedChem
239824,CCCC(C)OC(=O)N(C)C,1,GDB MedChem
350104,CCC1C(=O)NCC(C)N1CC(C)C#N,1,GDB MedChem
241213,CC1C(=O)CNC(=O)C12CCC2,1,GDB MedChem
41959,C#CC(=O)CN1CC([NH2+]C)C1=O,1,GDB MedChem
330650,CC1C#CCc2ccoc2CC(=O)C1C,0,GDB MedChem
320230,C#CC1(C(C)C)C[NH2+]C(CC)CC1C,0,GDB MedChem
249300,CC1OC2CC1CCOC2C,0,GDB MedChem
397195,C#CC1C2=CC(=O)CC2C2(OC)COCC12,0,GDB MedChem
140416,C1C[NH+](C2CC2C2CC2)C1,0,GDB MedChem
161866,CCC1(C)Cc2c[nH]c(NCCO)c2CC[NH2+]1,0,GDB MedChem
339128,C[NH2+]Cc1ncc(NC2CC[NH2+]C2)s1,0,GDB MedChem
22333,CCCOc1csc(C)c1,1,GDB MedChem
73094,N#CCC1(C(N)=O)C=CC(=O)CC1,1,GDB MedChem
86392,CC(C)C1(C(C)(C)C2CC2)CC1,1,GDB MedChem
25964,CCC(=NO)c1ncc(CC#N)c(O)c1O,0,GDB MedChem
366954,CC1C=CC(OCC#N)O1,1,GDB MedChem
114127,CCC1OCCCC2OC1(C)C=CCC2[NH3+],0,GDB MedChem
395264,CC1(CO)CCC2[NH2+]CCCC21,0,GDB MedChem
84756,C[NH2+]C(C)(c1ccsn1)C(C)(C)C1CCCC1,0,GDB MedChem
285379,CC(CC(C#N)C1(C)CCC1)C1CC1,1,GDB MedChem
76906,CCN1CC[NH2+]CCNCC2CNC1=[NH+]2,0,GDB MedChem
138702,C[NH2+]C(CNC(N)=[NH2+])C(C)CC[NH3+],0,GDB MedChem
372987,C[NH2+]C(C)C(C)(C)[NH2+]C,0,GDB MedChem
96363,C1CCC(CC2CC[NH2+]2)C1,0,GDB MedChem
2504,C#CC(C)OC1(C)CCc2c(NC)cccc21,1,GDB MedChem
191165,C=C1C(=O)COCC1CC(O)CC,1,GDB MedChem
361471,[NH3+]C(CO)C(O)CC1C=CC(O)C1,0,GDB MedChem
183046,Cc1nsc(=NC2CC=CC2)s1,0,GDB MedChem
283580,C=C1CC([NH3+])(C2CNC2CC#N)C1,0,GDB MedChem
62397,CCC1CC2C=CC3CCC32O1,0,GDB MedChem
5193,CCOC1CC2(S(=O)(=O)[O-])CC2[NH2+]CCC1[NH3+],0,GDB MedChem
178197,CC1=C2CCC=CCS(=O)(=O)C2C[NH2+]C1,0,GDB MedChem
261080,CC(C)c1nc2c(cc1N)OCCO2,1,GDB MedChem
86239,C#CC12NCC[NH2+]CC1C[NH2+]C2C,0,GDB MedChem
25627,CC1CC(CO)C(=O)C2CC2[NH2+]1,0,GDB MedChem
357221,COC12C=CC(C1)C(C1CC1)=C2,1,GDB MedChem
154215,CC(C)C1C(O)C1CC#CCCC#N,0,GDB MedChem
381510,CCC1=C2C3=C(CCC2CC1)CC(C[NH3+])C3,0,GDB MedChem
239051,C=CCC1=CC(C=C(C)C#N)=CC1,1,GDB MedChem
107342,CC[NH2+]C1(CCC[NH2+]C)CCC1,0,GDB MedChem
81349,C#CCC1=C2CC(C)C2(CC)CC1C[NH3+],0,GDB MedChem
264071,C[NH2+]C(C)(CC1(C)CC(C)C1)C(N)C(C)[NH3+],0,GDB MedChem
63517,CC1C=CC(=O)COCC1C,1,GDB MedChem
361864,CC[NH2+]CC1(O)COCC1C,0,GDB MedChem
351513,Cc1ncc(C(C)CCCCC(C)C)o1,1,GDB MedChem
26468,CC1C=C2C(C[NH3+])NCC2O1,0,GDB MedChem
307361,C[NH+]1CC=CC2C(NC=O)CC21,0,GDB MedChem
183678,CC(O)C1C(CO)C1CC(=O)[O-],1,GDB MedChem
577,CC1C=CC[NH+]2CC(C1)CC2C,0,GDB MedChem
139243,Cc1c(OC(C)(C)CC[NH3+])[nH]c(O)c1C(C)C,0,GDB MedChem
116703,C#CC(C)(C)C1(O)C(C)C(=C)C1C,0,GDB MedChem
141011,C=CCC=CC(=C)C1(C(C)=O)CC1,0,GDB MedChem
178502,C(#CC1=CCCC1)COCCC1=CCCC1,1,GDB MedChem
15169,[NH3+]Cc1cnc2c(c1)CN1C(=O)NCC([NH3+])C21,0,GDB MedChem
140469,CCC[NH+]1CCC2CCC(C)C1(CC(C)C)C2,0,GDB MedChem
31186,CCCC1CC(CC2[NH2+]CC2CO)CO1,0,GDB MedChem
191894,C=CC(C=CC)=CCC1(C#N)CC1,0,GDB MedChem
62222,COCCC1OCCC1C(C)(C)O,0,GDB MedChem
394803,CCN(C(=O)NC)C(C)CC[NH3+],0,GDB MedChem
168891,Cc1csnc1C1C(C#N)N(C)C(=O)CN1C,0,GDB MedChem
168975,C#CCC(OC)c1oncc1C,1,GDB MedChem
396304,CC(C)C1=CC2CC1[NH+](C)C2C,0,GDB MedChem
241168,C#Cc1cc(CCC(C)C)cc2ncccc12,1,GDB MedChem
233689,C#CCc1nc(C)nc(N)c1O,0,GDB MedChem
312633,CCOC(=O)C(CC(C)C)C([NH3+])CO,0,GDB MedChem
364474,CNC(C#N)C(C)(CO)CO,1,GDB MedChem
117256,CC#CC1=CC=CC(C)=C2NC(=O)C=C2C1,0,GDB MedChem
397649,CCc1cc2c[nH]c(OC)c(NC)c-2c1,0,GDB MedChem
343884,Cc1ccc(N)c2c(C)c(C(C)(C)C)ncc12,1,GDB MedChem
121207,C#CCCC1C=C2N(CC2(O)CC)C1=O,0,GDB MedChem
372026,COCC1(O)CC2CC(O)C1O2,1,GDB MedChem
115689,CC1=CC2=C(C=CC2)CN1S(C)(=O)=O,1,GDB MedChem
343819,C#CC1OCCC([NH3+])C2[NH2+]CC12,0,GDB MedChem
14861,CCc1occc1C1C=CC=CCCC1,0,GDB MedChem
210067,CCOC12C(O)COC1C2C,0,GDB MedChem
524,CCCc1cc(C(C)(CC)C(C)(C)C)sc1C,0,GDB MedChem
314819,CCCC[NH2+]CC#Cc1nn(C)c(=O)[n-]1,0,GDB MedChem
352033,CC([NH3+])CN1CCC(C[NH3+])C1,0,GDB MedChem
168875,C#CC1=CC=C2C[NH2+]CC=CC2=CC1[NH3+],0,GDB MedChem
363413,CCN1C(C)C(O)C1(C([NH3+])CO)C(C)(C)O,0,GDB MedChem
121344,C=CC=C1C=CC(C(CC)CO)=C1,1,GDB MedChem
76288,O=S1(=O)C=CN2CCCCC2=C1,1,GDB MedChem
130568,C=CC1CCC2CCC1([NH3+])C2C#N,0,GDB MedChem
344445,C=CC1CCC2=C1C=C1COC1C2,0,GDB MedChem
121544,CCCCS(=O)(=O)c1ccc(CC)cc1[O-],0,GDB MedChem
147497,CC1=C2C=CCC2(C)OC(C[NH3+])C1C(C)[NH3+],0,GDB MedChem
140184,CCC#CC(CO)CCOCCC(C)[NH3+],0,GDB MedChem
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76193,CC1=CCC(C)OC1C1CC(CO)C1,0,GDB MedChem
268234,CC(=O)c1ccc(=O)[cH-]c(=O)c1,0,GDB MedChem
210014,COCc1c[nH]c(C2(C#N)CCC2)c1C,1,GDB MedChem
41928,CCC(=O)OCCC1([NH2+]C)CC1,1,GDB MedChem
240533,CC1OC2C(=O)C1COC2CO,0,GDB MedChem
81976,C#CC(CC)CC(=O)NCC(=O)C1CC1,1,GDB MedChem
206512,Cc1cnc(C#N)c(CO)c1-c1nnsc1C,0,GDB MedChem
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245002,C#CCC(N)(C#N)CC(C)(C)NC(=O)CC,1,GDB MedChem
16607,CC1C#CCC(=O)C=Cc2[nH]ccc21,0,GDB MedChem
29900,CNC1(C(F)(F)F)C=CC(C(C)=O)C1,0,GDB MedChem
43484,[NH3+]CC1CC2NC(=O)NC2C1,0,GDB MedChem
348352,C[NH+]1CC=CC=CC1C1CC=C(CO)C1O,0,GDB MedChem
142133,C#CC1=CC2C(=O)C(C)OC2C1(CC)OC,0,GDB MedChem
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359524,C=C1CC(=CC)C2(C)C([NH3+])CN2C1,0,GDB MedChem
329143,CC1NC(=O)NCCN(C)c2cnccc21,1,GDB MedChem
398233,C[NH2+]C1(CCc2ccsc(=O)n2)CC1,0,GDB MedChem
89997,C#CC(C)(CC)C(C)CCc1c[nH+]c[nH]1,0,GDB MedChem
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122324,CC1CC(C(C)CC[NH2+]CCCO)CC[NH2+]1,0,GDB MedChem
169966,CN(C)C1(C)C(=O)CC(O)C1=O,0,GDB MedChem
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222327,CCCCc1ccc2c(C(C)C#N)csc2c1,1,GDB MedChem
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59784,CCC(=O)C1OC(C)OC1C(N)=O,1,GDB MedChem
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82501,N#CC(=O)N1C=CC=CCC12CC(=O)C2,0,GDB MedChem
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290419,COC1C(=O)OC2C(C)NC12,0,GDB MedChem
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291407,CC1([NH3+])CCC2CC#CC=CC=C1CO2,0,GDB MedChem
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31459,CCc1cc(C(O)CC[NH3+])cc(C(C)C)c1C,0,GDB MedChem
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60104,C#CC(C)CC(=O)c1ncsn1,1,GDB MedChem
187508,CC1OC(CCO)C2CC12OC(N)=O,0,GDB MedChem
169807,CC[NH2+]CC1(C2C=CCC2)CN(C)C1,0,GDB MedChem
373533,OC1C2=CCOC2OCC12CC2,0,GDB MedChem
59064,CC(C)c1ncc2c(n1)CC=C1COCC12,0,GDB MedChem
210555,OCC(CC#Cc1cc[nH]c1O)C1COC1,0,GDB MedChem
59528,CC(O)C1=CC2(C[NH2+]C2)C(CCCC[NH3+])C1,0,GDB MedChem
52396,COC(C(O)C(=O)NC=O)C1CCC1O,0,GDB MedChem
169947,CC1CCC2(CCC3OCC3OC2)[NH2+]1,0,GDB MedChem
209256,CCC1=C(C2CC2)CNCC1=O,1,GDB MedChem
285311,C[NH2+]C(C)CC[NH+]1CC(C)C(O)(C(C)O)C1,0,GDB MedChem
321364,CNC(=O)C1=C2CC(CCC#N)C2C[NH2+]C1,0,GDB MedChem
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14694,COCC(=O)c1[nH]ccc1OC,1,GDB MedChem
29856,CCOC1CCC(=C2C=CC(C)C2)C1,0,GDB MedChem
15060,C#CCC1CC2=C(C)CCC2=C1C1CC[NH2+]1,0,GDB MedChem
121141,C#CC(C)[NH2+]C1C(C)=CCCC1C,0,GDB MedChem
73084,C#CC(C)[NH+]1CC2CCC(CC)(C1)C2C[NH2+]C,0,GDB MedChem
150758,CCCC#CC1CC(OC(=O)NC)C1,1,GDB MedChem
230905,CC1[NH2+]C(C)(C)C1C#CCO,0,GDB MedChem
26536,C#CCCCC1=CCC2C3C(=O)CCC123,0,GDB MedChem
192782,CC#CC(C)(CC(C)C)OC,1,GDB MedChem
122272,C#CC(CO)C(=CCO)CC[NH2+]C,0,GDB MedChem
142666,CC1=CC2(C)C(=O)NC(=C2C)CC(C)=C1,0,GDB MedChem
392938,CCCC12CCC(=O)C(O)C1C2,0,GDB MedChem
249782,CC[NH2+]Cc1cccc(Cl)c1N(C)C,0,GDB MedChem
299938,COCC(C)CCCc1cn[nH]n1,1,GDB MedChem
384321,C#CCCCC1[NH2+]C(C)CC1C1(C)CCC[NH2+]1,0,GDB MedChem
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41730,CC#CC1C=CC2C(C[NH3+])C2CC=CC1,0,GDB MedChem
73133,C[NH2+]C(CN)(C[NH3+])CCCO,0,GDB MedChem
109953,Cc1csc(CC2CCO2)n1,1,GDB MedChem
67125,CC1CC(COC2CC(=NO)C2)[NH2+]1,1,GDB MedChem
375260,C[NH2+]C1C(C)C1(CC[NH3+])C(=O)[O-],0,GDB MedChem
125317,CC12CCOC(CC=C1C#N)C2[NH3+],0,GDB MedChem
165008,CC1OCCC1C(C)(CO)C12CCC(CC1)C2,0,GDB MedChem
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146328,CC1=C(C)C(C2CC(C)C2)=CCCC1,1,GDB MedChem
226749,CC(C)N1C(=N)NC2(COC2)C1=O,1,GDB MedChem
368345,Cc1cccc(C(C)C[NH+]2CCCCCC2)c1,0,GDB MedChem
135732,CC1(C)CCC[NH+]2CCC2CC1,0,GDB MedChem
302855,CCN1CC2C(C3CC=CC3)=CCC21C[NH3+],0,GDB MedChem
353678,N#CCC1C(=O)CCOC12CC2,1,GDB MedChem
67092,CC[NH+]1CCC(CC#N)=C2C=CC(C2)C1C,0,GDB MedChem
384913,C#CC1CC(CC)C2C=CC=C(CC2)C[NH2+]1,0,GDB MedChem
336849,CNc1nc([O-])sc1C(CNCC[NH3+])C[NH2+]C,0,GDB MedChem
354920,CC1NC(=O)C=C(CNC=O)C1(C)C,1,GDB MedChem
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39578,CC(=O)C1CC(C)C1CCC(=O)C(C)=NO,0,GDB MedChem
63980,C#CCC(CCC(C)OC(C)C)[NH2+]CC(=O)[O-],0,GDB MedChem
148405,CC1=C(C2(C[NH3+])CCOC2)CCOC1C,0,GDB MedChem
357940,C[NH+]=c1cc(N)scc1N,0,GDB MedChem
154588,CCCC12CC1C=CC=CCC2CC,0,GDB MedChem
52810,C#CC(=O)C1(C)CC(=O)N(C(C)CO)C1=O,0,GDB MedChem
185751,CC1=CCC2OC(=O)C(C)(C1)O2,0,GDB MedChem
217875,C#CCC1C(=O)OCC12CCC(C[NH3+])OC2,0,GDB MedChem
267515,CCC1CN(C)CC([NH2+]C)CNC(=O)O1,0,GDB MedChem
237523,CC1CC1C#CC1C=CC[NH2+]1,0,GDB MedChem
114201,CCC(CC)C1CCCC(=O)C(C)C=C1C,0,GDB MedChem
359861,CCC([NH2+]CC(C)(C)[NH3+])C1=CCC(C)CC1,0,GDB MedChem
67276,C=C1C(C)=CC=C1CCCC1CC1,1,GDB MedChem
224400,CCN(C)C1C[NH2+]CCC(=O)C=C1N,0,GDB MedChem
76547,CCC1(C[NH3+])CNC(C#N)C(O)C1[NH2+]C,0,GDB MedChem
170893,CCC(C)(C)CC12CCC=CC1[NH2+]C2,0,GDB MedChem
72334,C#CC1=C(C)CCC([NH3+])COc2occc21,0,GDB MedChem
197351,O=C1OCCC=CC1c1cccc(O)n1,0,GDB MedChem
303006,C[NH2+]C1CNC(C)(CO)C2CC2C1,0,GDB MedChem
69345,CC(C)OC(=O)NC1CCC1,1,GDB MedChem
46962,C=C1CCCC(C(=O)[O-])=C(C)C1=C,0,GDB MedChem
234177,CC[NH+](CCC[NH+](C)C)C1CCC(C#N)CC1,0,GDB MedChem
190989,CCCC1CC(C2CC2)CC#CCC[NH2+]1,0,GDB MedChem
215912,O=C(CO)C1CC[NH2+]C1CO,0,GDB MedChem
86228,CC(C)[NH2+]C1C=CCC1C1(O)CC1O,0,GDB MedChem
183095,CC1=CCC[NH+](CCO)CC=C1C1CCO1,0,GDB MedChem
302819,CCOC1Cc2ncc(C)c3c2C(CO1)[NH2+]C3,0,GDB MedChem
361206,C[NH2+]CC(O)(C(C)=NO)C1CC2COCCC21,0,GDB MedChem
352295,CCCC1(C(C)[NH3+])C(=O)NC1CC#CC[NH3+],0,GDB MedChem
290667,CC1CC(C(N)=O)OC12COC(=O)C2,0,GDB MedChem
16207,CC1=C2CC=C(C[NH3+])C[NH+](C)CC(O)(C1)C2,0,GDB MedChem
228954,C#CCC1(CC[NH+](C)C)CC(C)=CC1CC,0,GDB MedChem
171751,CCC1=C2C=C(C#N)C(C=CC=CC1)C2,0,GDB MedChem
360086,[NH3+]C1CC2CC12CC(O)CO,0,GDB MedChem
104013,C#CC1OC2C1C21COC1,0,GDB MedChem
168877,CCC12CC(C(N)CO)[NH2+]C1C2,0,GDB MedChem
122563,CC1C(O)CCCC2Cc3cc(Cl)ccc3N21,1,GDB MedChem
15086,NC(=[NH2+])NCC1(O)CC=CC(C[NH3+])NCC1,0,GDB MedChem
96617,CC1=CCOC2CC2C(C)=C1NC(N)=O,0,GDB MedChem
7510,C=C1CCN2CC(C)OCC2C1=O,1,GDB MedChem
389837,C#CC1C(C)OCCC12CCCC(CC)CC2,0,GDB MedChem
165519,CC1CC(=O)C#CC(=NO)CC2=CC1CC2,0,GDB MedChem
104025,O=C1CCC(CO)C(=O)C1=O,1,GDB MedChem
184779,CC1(C(=O)C(=O)[O-])C=C(C(=O)C#N)CCC1,0,GDB MedChem
229939,CC1=C(CCC(C)[NH3+])CC(C)(C(C)C)CC1,0,GDB MedChem
389345,CCC1C2CC(CCO)(C=CCO2)C1[NH3+],0,GDB MedChem
358325,CNc1nsc(CC(C)CC2CC(C)[NH2+]2)n1,0,GDB MedChem
30783,CCC1CCC2(C3CCC(O)C3)C=CC[NH+]12,0,GDB MedChem
362237,C#CCC1CC=C2C=CC(C(C)OC1)C2C,0,GDB MedChem
120167,Cc1cnc(C(C)C)[n-]c1=[NH2+],0,GDB MedChem
270888,CC1C=C2C(C(N)=O)C[NH2+]CC2C1C,0,GDB MedChem
62225,C#CC1(C)C=C(C#N)CC(C[NH3+])=CC[NH2+]1,0,GDB MedChem
348160,Cc1c(N)sc(N)c1-c1cc[nH]c1,1,GDB MedChem
359536,CC1CCC(COCC#N)[NH2+]1,1,GDB MedChem
226665,C#CC([NH3+])C(C)(O)C[NH2+]CCC(CC)[NH+](C)C,0,GDB MedChem
127449,[NH3+]CC1CC=CCCC1O,0,GDB MedChem
78474,CCCc1cc(CC)n2ccc(CCC)c2c1,1,GDB MedChem
89806,N#Cc1occ([O-])c1-c1ccon1,0,GDB MedChem
273609,COCC1CC12C(=O)C1CC12,1,GDB MedChem
201210,O=C([O-])COC12CC=CC1C(CO)C2,0,GDB MedChem
4434,COC1OCC(O)C([NH3+])CC1CC[NH3+],0,GDB MedChem
278678,CC(CNC1C2CC[NH2+]C21)=NO,0,GDB MedChem
359634,CC[NH2+]C(C#CC1CCC=CC1C)CC,0,GDB MedChem
297380,N#CC(CO)CCC#CCNc1cnco1,1,GDB MedChem
331917,CC12CCC=CC1C2CCO,0,GDB MedChem
344082,CC1=C2C(C[NH3+])C3CC(C1)C23,0,GDB MedChem
175157,CC12CC3=CC=C(C#CC#N)CC=C3C1C2,0,GDB MedChem
368973,CCC1=CC#CC(C[NH3+])CCC[NH2+]C1,0,GDB MedChem
14941,CC#CC([NH+](C)CC)C1(O)C(C)C1O,0,GDB MedChem
48970,COC1C2CC(CO2)C1(O)CO,1,GDB MedChem
326241,C#CC1=CC(C)(C)C(=NO)C(C)=C(C)C=C1C,0,GDB MedChem
76227,CCC1=CC=CC(=C2CCC(CC)C2)C=C1,0,GDB MedChem
109873,CC1=C2CCOC2C([NH+](C)C)CCC1=NO,0,GDB MedChem
395566,CCC1=CC(=O)CC=CC(C)(C)C=C1,0,GDB MedChem
383564,CCC1(C#CC(C)[NH3+])CC2[NH2+]CC=C21,0,GDB MedChem
230992,CC#Cc1cc(CC(O)C[NH3+])co1,0,GDB MedChem
113436,CC(C(N)=O)C1CC([NH3+])C1C(=O)[O-],0,GDB MedChem
111363,C[NH2+]C1C=C(CC#N)CC1,0,GDB MedChem
223598,CC1CC1[NH2+]CC#CC#N,0,GDB MedChem
238988,C#CCC1(O)CC2CC1COCC(CCO)O2,0,GDB MedChem
172177,[O-]c1ccc(C2C=CCC[NH2+]2)o1,0,GDB MedChem
324337,CCCCC(=O)CC(C)CC(CC)C(C)C,1,GDB MedChem
282034,CC[NH+](C)CCOCCOC(C)(C)C#N,1,GDB MedChem
46513,Cc1c(C(C)C(O)CO)cnn1CCCC[NH3+],0,GDB MedChem
117857,C=C(C)C1=CC[NH+]2CC(=C)C(=C)C12,0,GDB MedChem
164260,COC1(C2CC2)C2CCOC21,1,GDB MedChem
392893,CC1=CC(O)C2CC2NC(=O)NCC1O,0,GDB MedChem
25927,CC(C)(C#N)C1CC(CC[NH3+])=CN1C=O,0,GDB MedChem
210559,CCC1C=CC2C(O)COC(=O)CC2[NH2+]1,0,GDB MedChem
14807,CC[NH2+]C1C(N)CC1N(C)C,0,GDB MedChem
340026,C#Cc1ccsc1C(C)(O)CC,1,GDB MedChem
192105,NC1C([NH3+])C1COC1CCC(O)C1,0,GDB MedChem
188439,[NH2+]=c1cc(C2=CCCC2)cc2cc[nH]cc1-2,0,GDB MedChem
76015,CCCC1CC(C)(C)C(CC)C(CO)C1CC,0,GDB MedChem
329202,C#CC1C(C)[NH2+]C2CC=CCC21,0,GDB MedChem
118275,C#CC([NH3+])CC1CC2CC2(O)C1,1,GDB MedChem
367268,CC(CC1C=CC(C)([NH2+]C2CC2)C1)=NO,0,GDB MedChem
292790,C(=C1CC(C2CCC2)C1)C1CCC1,1,GDB MedChem
372966,CCn1ncc(C(C)C(C)O)cc1=[NH2+],0,GDB MedChem
195079,CCC(Oc1cc(C)sc1C(C)(C)[NH3+])C(C)C,0,GDB MedChem
2,CN1CC=Cc2c(Cl)cccc21,1,GDB MedChem
48402,C#Cc1c([O-])sc(O)c1NCCO,0,GDB MedChem
369022,CCC1=CCC2CCC(=C2C)C([NH2+]C)C1C,0,GDB MedChem
214949,C#CC1([NH3+])CC([NH3+])C2COC2C1,0,GDB MedChem
93340,CCC(=O)Oc1nc2cc(N)cc-2[nH]c1CO,0,GDB MedChem
358067,CC1(C#N)OC(=O)NC=CCC1[NH3+],0,GDB MedChem
124014,C[NH2+]CCOc1cc(C2CC2)nn1C,1,GDB MedChem
286089,NC(=O)C1C2CC(O)C1NCC2=O,0,GDB MedChem
153085,COC(C[NH3+])CCN1CC[NH2+]CC1,0,GDB MedChem
221541,CC(C1C=CC(=O)CCC1)C(C)(C)C=NO,0,GDB MedChem
15417,CC(=O)C1CC([NH+](C)C)CC(C)CO1,0,GDB MedChem
296937,CC([NH3+])C1CC([NH3+])C(C[NH3+])NCCO1,0,GDB MedChem
253873,COCc1c(C)cc(C2CC(C)[NH2+]2)[nH]c1=O,0,GDB MedChem
32336,OCCC1=CC(O)(c2ccsc2)COC1,0,GDB MedChem
132619,C#Cc1csc2c1C(C(C)C(C)C)C(C)CC2,0,GDB MedChem
320243,CCC(CC#Cc1n[n-]nnc1=N)[NH2+]C,0,GDB MedChem
205360,NC(CO)C1CCCC(O)C[NH2+]1,0,GDB MedChem
181931,CC1OC2OCC1(N1CCC1CC#N)C2=O,0,GDB MedChem
165009,CCC1([NH+]=C(N)N)COC1,0,GDB MedChem
152901,CC1=CC2CC2C1CN(C)C=O,0,GDB MedChem
45511,C=C1CC([NH3+])C(=CC)C(O)C1(C)[NH3+],0,GDB MedChem
117997,CCCC#CC(CC)CC(C)C,1,GDB MedChem
28819,COCC1(C(=O)[O-])CC2C[NH2+]CC(C2)C1,0,GDB MedChem
301906,CC[NH2+]C1CCC2(C(C)(C)C)CCCCC1C2,0,GDB MedChem
238491,CC1OC2CC1(CO)OCC2[NH2+]CC=NO,0,GDB MedChem
169278,N#CC(CCO)Cc1ccsn1,1,GDB MedChem
233796,CC1(O)C=CCC=C2C=CCOC1C2=O,0,GDB MedChem
212518,CC(O)(C[NH3+])C1CCC=C(C#CC[NH3+])C1,0,GDB MedChem
370476,CCCC1COC(=O)CNC1=O,1,GDB MedChem
219971,O=C1OCC2CC(CCO)=CCC12O,0,GDB MedChem
327184,C#CC(C[NH3+])(C(O)CO)C([NH3+])C1COC1,0,GDB MedChem
140542,CCC(O)C1(O)C([NH3+])C1OC,0,GDB MedChem
33386,C#CC1(C)CC2=C(C1)C(=O)C(=NO)C2,0,GDB MedChem
376944,COC1C2C(C)=CC(C)=CC12CO,0,GDB MedChem
377489,CC#Cc1cc(C)c(C(C)CC[NH3+])[nH]1,0,GDB MedChem
279564,C[NH2+]C1COC(C(O)CO)C(C)C2(CC2)C1,0,GDB MedChem
195617,CC1=CCN(C2=CCC[NH2+]C3(CC3)C2)C1=O,0,GDB MedChem
19064,CCC1=C(C)CCC2=CCCC2(O)C1,0,GDB MedChem
3525,CC(C)C1=Cc2ccc3c(c2C1)C=CC3O,1,GDB MedChem
347395,COC(C)C1CNC(=O)C1[NH3+],1,GDB MedChem
236503,C#Cc1cncc(C2[NH2+]C3C(O)C=CC23)c1,0,GDB MedChem
137844,CC(O)C(OC(=O)C1CCCC1O)C(C)(C)O,1,GDB MedChem
327164,CCc1c(N)cccc1N1CCCC(CC)C1,1,GDB MedChem
210859,C#CCCN(C)C1(C)CC(CC)[NH+](CCC)C1,0,GDB MedChem
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285192,C#CC1(O)C(C)C[NH2+]CC1C1=CCOC1,0,GDB MedChem
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78108,CC1=C(C)CCC(C2(O)CCOCC2)=CC1,1,GDB MedChem
156859,CC12CC=C(C#N)C1=CC(CO)[NH2+]C2,0,GDB MedChem
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297391,C#Cc1ccsc1C1(CC)CC1,1,GDB MedChem
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198428,CCc1cc(C2(O)CC=CC2C)oc1C,1,GDB MedChem
220912,[NH3+]Cc1cc2c3c(c1)CC=C3C=CC2,0,GDB MedChem
390328,Cc1c(CCC[NH3+])[nH]c(=[NH2+])c(CO)c1N,0,GDB MedChem
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138066,Cc1cccc2c1c(C)c(C1CC1)n2C,1,GDB MedChem
323547,CC1C(C)C1C([NH3+])(CNC=O)C(C)O,0,GDB MedChem
105181,CCC1(CC2C(C)CC2C)CC1[NH2+]C,0,GDB MedChem
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113309,CCCC12CCC(CC1)C2CO,0,GDB MedChem
305421,CC1=CCCC(C(C)C[NH3+])=CC1[NH+](C)C,0,GDB MedChem
362309,Cc1[nH]c(O)c(C(C)(C)C)c1N(C)CCCO,0,GDB MedChem
309872,COCCC1C2C=CC(O)C21C,0,GDB MedChem
88955,CC1CC[NH2+]CC2CC(=O)C1N2,0,GDB MedChem
175497,O=C1CCC2=C1C(CO)C1C(O)CC21,0,GDB MedChem
48405,C#Cc1cc(CC)cc(N(C)CCC[NH2+]C)c1,0,GDB MedChem
251707,C#CCOC1C(O)CC(C)(CC)[NH2+]C1C(C)=O,0,GDB MedChem
48985,CC[NH2+]CCC(C)(C)C(C)=NO,0,GDB MedChem
297848,CC1=C2CC=CC(C)(C)C#CC=C2CC1,0,GDB MedChem
384947,CCCC(C)(C)c1occ(COC)c1C,1,GDB MedChem
301002,CC1OCC(C(C)(C)S(=O)(=O)CCO)CO1,0,GDB MedChem
24339,CC(C)[NH2+]C1(C2CC2C)CCC1,0,GDB MedChem
208214,C=C(C)C([NH3+])COCC=C1COC1,0,GDB MedChem
240351,CCC1=C2C(=O)C(C)OC3CC(C1)C23,0,GDB MedChem
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332259,C#CC(C=C)C([NH3+])C1(C)CC1CC,0,GDB MedChem
140444,C[NH2+]CCC(C)(CC(C)C)CC1CCCCC1,0,GDB MedChem
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64005,COC1(C#N)c2ccc(N)nc2CCCC1C,0,GDB MedChem
280375,[NH3+]C1CC[NH2+]CC2(CC2)C1,0,GDB MedChem
170322,C#CC(C)(C)[NH+]1CCCC1CC1CCCCC1,0,GDB MedChem
305379,C[NH2+]C1(C2CC2)CCC=CC([NH3+])C1,0,GDB MedChem
312421,CC[NH+]1CC(C2CC(=O)N2)C1,0,GDB MedChem
336838,CCc1ccc(C(N)=O)c2c1CCC2,1,GDB MedChem
189552,[NH3+]CC#CCC1CCC2(O)CCC=C2C1,0,GDB MedChem
113817,CCc1cc(=N)sc2c(F)c(NC)cc(C)c12,0,GDB MedChem
51769,CCC1=Cc2[nH]ccc2CC2(CC2)C1,0,GDB MedChem
315445,C#CC(O)C(NC=O)C1=CC(=O)CC1(C)O,0,GDB MedChem
268982,COCC#CCC1(O)CCOC1C#N,0,GDB MedChem
138687,CC(CO)C1CN(C=O)C2=C1CCC[NH2+]C2,0,GDB MedChem
190624,CC1C[NH+]2C(CC(C)(C)O)C1CCCC2(C)C,0,GDB MedChem
360900,C#CC(C[NH3+])OCC([NH3+])(CC#N)C1CCCC1,0,GDB MedChem
294093,COCC1OCC2([NH2+]C(C)CC2O)C1=NO,0,GDB MedChem
149006,CC=C(CC)CC(=O)N(CC)CC,0,GDB MedChem
226520,COC(C)(CCC1=CCCCC1)C(C)C,1,GDB MedChem
318909,C[NH2+]CC1(C)CCC1O,0,GDB MedChem
361236,CC(O)(C#CCO)CC1CC(CC#N)C1,1,GDB MedChem
201631,[NH3+]CC1(CO)CC2CC([NH3+])C1N2,0,GDB MedChem
49250,CC#CC1CC([NH3+])C(C)C(C)([NH3+])CN1,0,GDB MedChem
62363,C#CC1[NH2+]C(C(N)=O)C1CO,0,GDB MedChem
164922,C#Cc1nccnc1C[NH2+]C,0,GDB MedChem
175079,CCCc1ccc(O)cc1CC(C)(C)O,1,GDB MedChem
19835,C#CC1=CCC(C#N)C2OCC12,0,GDB MedChem
152641,[NH3+]CCN1CCC2(CCC2C(=O)[O-])C1,0,GDB MedChem
236080,CC1=C(CCCC(C)CC2CC2)COC1,0,GDB MedChem
201213,C#CC1=C(C2CCO2)C(CC)CCCC=C1,0,GDB MedChem
170758,CCCC[NH+]1CC(N)(CO)CC(O)C1C(C)C,0,GDB MedChem
285234,C=C(C#CCC([NH3+])CO)CC=CC,0,GDB MedChem
107762,C[NH2+]CC1(N)C=CC=CC=C2C1=CCC2C,0,GDB MedChem
365034,C#CC1=CC2(N(C)C(=O)CO)CC2C1OC,0,GDB MedChem
373349,CCC1CC([NH2+]CC(C)C#N)C1,0,GDB MedChem
143953,CCC[NH+](C)C(C)C(CC)CCC(C)(C)[NH2+]C,0,GDB MedChem
116303,COC1OCC2C3=C(CCC12C)C[NH2+]C3,0,GDB MedChem
47011,CC1=C2C(C=C(CO)CCC2(C)C)CCC1,0,GDB MedChem
266819,CCC1C=C(C[NH2+]C)C=C(C)CO1,0,GDB MedChem
228621,C=CC(C(N)=O)=C1CC(O)CC1C,0,GDB MedChem
176359,NC(=[NH2+])c1cc(CNC(N)=O)c2nsccc1-2,0,GDB MedChem
67234,CCOC(C)(C[NH3+])CC(C)[NH+](C)CCCC#N,0,GDB MedChem
29319,CCC1=CC(OC)CCC(C)(C)C=CC1,0,GDB MedChem
131413,C[NH2+]C1C=C(C#N)C=CCC1(O)C1CC1,0,GDB MedChem
221521,CCCC(C#CCC(C)C)C1=C(C)COC1,0,GDB MedChem
265192,O=C1NC2CC2C=C1C(O)CC1CC1,1,GDB MedChem
360363,CCNC1C(C[NH3+])C1(O)C#N,0,GDB MedChem
226299,O=C1CC(CC2COC2)C(O)C1=O,1,GDB MedChem
288777,CC(C)[NH2+]CC1=CCC(=O)OC1CO,0,GDB MedChem
227214,Nc1cnc(C2CC2[NH3+])cn1,0,GDB MedChem
368986,CC1CCOCCC12CC2[NH3+],0,GDB MedChem
206559,CCCC(C)(C)C(O)Cc1cc(CO)n(C)n1,1,GDB MedChem
270690,C=CC(C)=C1C[NH2+]C(C)C1(N)CC,0,GDB MedChem
275833,COCC1CC2CC12CO,0,GDB MedChem
60067,CCN(CCC[NH3+])C(=O)c1c(C)sc(C)c1C,0,GDB MedChem
366378,CC1=C(CO)C=C(CCC[NH3+])C=CC12CC2,0,GDB MedChem
353831,C=CCC(C#N)=C1CCCC(=NO)C1,1,GDB MedChem
100569,C=CCC(=C)C1OCC1(C[NH3+])C[NH3+],0,GDB MedChem
392670,C#CC1=CC(O)(CC)C=CCC(C)=C1C,0,GDB MedChem
156405,CCC(N)C([NH3+])(CC)CO,0,GDB MedChem
272124,CC[NH2+]C(C)C1CC(=O)C1C#N,0,GDB MedChem
34038,CCC(=O)C1COC1(C)C(C)=O,0,GDB MedChem
213548,C=C1CC2CCCC([NH3+])C(C2)C1C,0,GDB MedChem
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199990,CC#CC1=CC=CCCC(=O)N1,0,GDB MedChem
43487,C#CC[NH2+]Cc1ccc(C)c(C(=O)[O-])c1CO,0,GDB MedChem
181232,CNC1C(=O)OCOC2CC21,0,GDB MedChem
396849,C#CC1CC2OC1C=CCC(=NO)C2(C)C,0,GDB MedChem
191813,C#CC1=CC=CC(=O)NC(=N)N1C,0,GDB MedChem
232781,CCC1=C(C2CCO2)C=CC(C)=CCC=C1,0,GDB MedChem
277512,Cc1ncc(CCC#N)o1,1,GDB MedChem
169020,C=CC[NH2+]CC(C)OC(=O)NC=O,0,GDB MedChem
33409,C#CC(C[NH2+]C)C1(O)C(=O)NCCC(C)C1C,0,GDB MedChem
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175621,CC1(C(N)=O)OC(C=CCO)C1[NH3+],0,GDB MedChem
235795,CC#CCC12CCOC1C(=O)C(=O)C2,0,GDB MedChem
52630,N=c1onnc2c(CCCO)c(N)ccc12,0,GDB MedChem
242506,COCCC12CC1CO2,0,GDB MedChem
113880,CCC1(C(C)(O)C(C)=O)OCC=C1C(C)=O,0,GDB MedChem
227836,C#CC(C)C(C)([NH3+])C(N)CNC(=O)NC,0,GDB MedChem
319760,CC1=CCC(=NO)CC2CC(=O)CCC2=C1,0,GDB MedChem
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63975,CC=CCCC(CCC)[NH2+]CCO,0,GDB MedChem
71374,CCc1c(C(C)=O)ccc2c1CC(C)CCC2,1,GDB MedChem
21642,CCCN1C(=O)C(N)C(C)(O)C1=O,0,GDB MedChem
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366164,CCC1=C2C[NH+](C)C2C(C)C1C,0,GDB MedChem
335304,C#CC(=O)NCC1Cc2ccc(F)c(N)c2C1,1,GDB MedChem
164979,CC1=CC=C2CC(C)C2CCC=C1C[NH3+],0,GDB MedChem
109988,C#CCC(=O)N1CCN(C2CC2)C1=O,1,GDB MedChem
331291,C#CCCCC1[NH2+]CC1C(C)(C#N)NC,0,GDB MedChem
371658,CCCN=c1ccnns1,0,GDB MedChem
330673,C=CC(C)(C=C)N=c1ocnn1C,0,GDB MedChem
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263639,C#CCC(CO)C1CC(C)[NH+](CC)C(CC)C1,0,GDB MedChem
232330,C=CC1CCCCC(C)=C1C[NH2+]C,0,GDB MedChem
395217,C#CC1CC(C)Cc2c([nH+]cc(C)c2CC)N1,0,GDB MedChem
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75314,CC(COc1ccsc1)CC1(C)CCCCC1,1,GDB MedChem
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307374,CC1CCCCC2(CC#N)C(C[NH3+])NC(=O)C12,0,GDB MedChem
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296745,O=C1C=CC(CO)=CCC2=CC(=C1)CC2,0,GDB MedChem
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264376,CC(O)C(O)C(C)(C)CN(C)c1cc[nH+]cc1,0,GDB MedChem
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337553,CCCCCC1(C(C)C)CCCCC1C(C)=O,0,GDB MedChem
9289,CC1=CC(C)CC2(C)C=C(C1)C(C)COC2,0,GDB MedChem
376567,CCCc1c(N)ccc(Cl)c1C1CCC[NH2+]C1,0,GDB MedChem
164057,c1c[nH]c(Nc2cc(Cn3cccc3)co2)c1,1,GDB MedChem
171421,Cc1cc[nH]c1CCC(C)(C)C,1,GDB MedChem
266979,C#CC(C)CC(=O)COC,1,GDB MedChem
285438,C[NH2+]CCC1C(O)CNC(C[NH3+])C1[NH3+],0,GDB MedChem
331303,N#CC1C2CC[NH2+]C12C1CC1,0,GDB MedChem
153041,CC1(C)C=CCCC(O)C1,1,GDB MedChem
264430,C#CC(Cc1cc(CCC)c[nH]1)C(C)=O,1,GDB MedChem
228941,[NH3+]CC[NH2+]C1C=CCC12C1C=CC2CC1,0,GDB MedChem
93554,C#CC1(CC)C(C#N)=CC(C)C(C[NH3+])C1[NH3+],0,GDB MedChem
115667,CCCOC(CC)c1c([O-])sccc1=[NH2+],0,GDB MedChem
66920,C#CC1=CCOCC([NH3+])CC1C,0,GDB MedChem
211086,CCc1c(C)cnc2cc(NCCO)n(C)c12,0,GDB MedChem
255678,CCc1c2cccsc-2cc1C(C)(C)C(C)C,0,GDB MedChem
37820,CC[NH+]1CCC2(CC1)C1CC(=O)NC12,0,GDB MedChem
230936,CC1=C2CCC2(C(C)O)CC1,0,GDB MedChem
204962,CC1C(CCO)[NH+](C)C1CC(=O)[O-],0,GDB MedChem
389844,CCCC1CCC(OC(CO)CO)CCCO1,0,GDB MedChem
381517,C#CCCC1CC2(CC=C(CC)CC2)O1,1,GDB MedChem
306744,CC1(C)C=CC(CO)OC(=O)CC1CO,0,GDB MedChem
23124,CC#CC1=C(N)C2=CCC(=O)CC2C1=O,0,GDB MedChem
343782,COC1C=CC(CC(C)C)C1=O,1,GDB MedChem
256259,C#CCC1C(C)CCC1[NH3+],0,GDB MedChem
281497,CC(C)CC(=O)OCC(O)C1(C)C=CCC1,1,GDB MedChem
340328,CC[NH+](C)C(C)CCc1cc(C)nc(C)c1,0,GDB MedChem
80839,C[NH+]1CC#Cc2csc(c2)C=CC=CC1,0,GDB MedChem
78955,N#CC1C(N)C2CC3(CC3)[NH2+]CCN12,0,GDB MedChem
29899,NC(=[NH2+])N1CC=C2C[NH2+]C2CC1,0,GDB MedChem
357887,CCc1nscc1OC(C)CO,1,GDB MedChem
183953,CC1CC2C#CCCCC(C(C)C)[NH2+]C2C1,0,GDB MedChem
186791,N#CC1=C2C(=CCC2[NH3+])CC12CC2,0,GDB MedChem
216073,CC(C#N)C1C(=O)N(C)CC2CC21,1,GDB MedChem
81827,CC1=CCC2C=CC([NH3+])CC12,0,GDB MedChem
395848,CCC(O)CC1(C#N)OC(C)C1N,0,GDB MedChem
305658,CCNc1c(CC)c(C[NH3+])cn1CCO,0,GDB MedChem
247909,C=CC(C)=C1C=C(CC)NC(=O)C1,0,GDB MedChem
82441,CC1OC2CC1C(C)O2,1,GDB MedChem
227243,CC(C#N)c1c2c(cc3c1NCC3)C[NH2+]C2,0,GDB MedChem
51222,CCC1=CC2C(C)CCCC2C1(C)[NH2+]C,0,GDB MedChem
192829,OCC[NH2+]C1(C2CC2)C2CC1OCO2,0,GDB MedChem
155997,CC1C=CC(C(N)=O)CC=C1CC[NH3+],0,GDB MedChem
113823,C1=C2C[NH2+]CCC2OCC1,0,GDB MedChem
62433,COCCC(C)CCC1CC=CC1C,1,GDB MedChem
233789,CC#CC(CO)CC(C)[NH3+],0,GDB MedChem
10114,C[NH2+]CCOC1C=CC(C(N)=O)=C1,0,GDB MedChem
110895,[NH3+]CC#CC(C[NH3+])n1ccsc1=O,0,GDB MedChem
228274,CCC(CC(N)=O)([NH2+]C)C1OC2CCC1(C)C2,0,GDB MedChem
43416,CCCC1OC2COCCC(O)C12O,0,GDB MedChem
170914,CN(C)C(C[NH3+])(CO)COCC1(C)CCCC1,0,GDB MedChem
285530,Cc1[nH]cc(CCn2ccsc2=O)[nH+]1,1,GDB MedChem
22075,COC1CC2NC(=O)CC2C(=O)O1,0,GDB MedChem
367579,CC#CC1CC(C)=CC2COC1O2,0,GDB MedChem
249015,NC(=O)NC1C(=O)NC2C=C1C=CCOC2,0,GDB MedChem
209219,NC(=O)C1C[NH2+]CC12CC([NH3+])CCO2,0,GDB MedChem
114250,CCC(CC)C(C)(O)S(=O)(=O)C#N,0,GDB MedChem
395879,CC1C(C(C)(C)[NH3+])C(O)C1(C)C,0,GDB MedChem
255738,ON=CCC1[NH2+]CCC2C=CCC2=CC1O,0,GDB MedChem
294090,C#CC1=CC(=O)COCC=C1,0,GDB MedChem
377471,C#CCc1[nH]c(=O)ccc1N1CCC1=O,1,GDB MedChem
116874,CCC(C)CC12C=CC(CCOC1)C2,0,GDB MedChem
179581,CCCC(C)(NC(=O)NCC[NH3+])C1(C)CC1,0,GDB MedChem
236905,CC(C)(Cc1ccns1)Cn1cnc(N)c1,1,GDB MedChem
223406,CCC1C=CC(=NO)CCC(O)C(C#N)=CC1,0,GDB MedChem
55922,C#CCC1(C#N)CC1OC,1,GDB MedChem
131378,N#CC12C[NH2+]C(CCOC1)C2O,0,GDB MedChem
236078,C#CC12CC(C)CC1CC(OCC[NH3+])O2,0,GDB MedChem
290689,C#CC1(NCC2=CCCC2[NH2+]C)CC1,0,GDB MedChem
260444,Cc1csc(CC[NH+]2C(C)CC(O)C2(C)C)c1,0,GDB MedChem
313934,C#CCC1(CC)C=C2CCC([NH3+])C2[NH2+]1,0,GDB MedChem
38665,N#CC12CCC1CC([NH3+])CC2N,0,GDB MedChem
218181,C#CCC(C)(CC(C)C)C(C)CC(C)[NH3+],0,GDB MedChem
380409,CC1(OC2C=CC3CCC(C[NH3+])C2C3)CC1,0,GDB MedChem
375974,C#CCC(O)C(=O)C1CCO1,1,GDB MedChem
398245,Cc1ccn(-c2cccs2)c1,1,GDB MedChem
357844,C#CC1=CCC2(CC)CC1C(C)[NH2+]C2C,0,GDB MedChem
40098,CC1(CC#N)CC=C(C[NH3+])CC1CC(N)=O,0,GDB MedChem
133106,CC1(C2CC=CC2=O)CC[NH2+]C1,0,GDB MedChem
73888,CC1(C(N)=O)CCC1C(=O)[O-],0,GDB MedChem
370835,CCC1C=CC2(C(C)C(C)(C)C)CC12,0,GDB MedChem
164920,C1=CCc2sc(COc3cnoc3)cc2C1,1,GDB MedChem
164075,CCC#CC1C2COC2CN1CC[NH2+]C,0,GDB MedChem
255776,C#CC1(C(C)([NH3+])CC(C)C#N)CCC1,0,GDB MedChem
35146,C#CC(C)C(C)(Cn1cccc1)[NH2+]CCCC,0,GDB MedChem
276628,C#CC1(OC)CC(=O)N(CC)C(CCC#N)C1,0,GDB MedChem
381531,CCC1CC(O)C(C)(C)c2c(O)cc(C)cc21,0,GDB MedChem
280244,OC1C=C(C2COC2)CC1,0,GDB MedChem
113949,CC1CCCC(=O)C1C1=CC[NH2+]C1,0,GDB MedChem
310706,CC(C1CCC(C(C)(C)CO)O1)C(C)(C)O,0,GDB MedChem
16899,C#CC1=CCCCC2=C(C(C)[NH2+]C)CCC12,0,GDB MedChem
135584,C#CC(C#N)(C(C)[NH3+])C1CCC(C)(O)CO1,0,GDB MedChem
257032,Cc1c[nH]c(CNC2COC2)n1,1,GDB MedChem
216710,CC(C)C#CCOc1ccoc1,1,GDB MedChem
36695,C#Cc1n[nH]cc1-c1ccc2c(C)oncc1-2,0,GDB MedChem
285284,CC[NH+]1C(C)C(=O)CC1(C)C,0,GDB MedChem
251625,CC1=C2C=CC(O)CC(=O)CC1(C)[NH+](C)C2,0,GDB MedChem
394693,CCOc1ccc2cconc1-2,0,GDB MedChem
223039,COCCCC[NH2+]C(C)CO,1,GDB MedChem
320137,CCC1OCC2=C(C#N)C(CC2)OC1=O,0,GDB MedChem
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260476,CN(C)CC(=O)C1(O)CCOC1C#N,0,GDB MedChem
109007,CCC12CCC1=CCCCO2,1,GDB MedChem
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230915,C1#CCCCC2=C3CCC3CC2C=C1,0,GDB MedChem
587,C=C1COC1C(=C)CC1CCCC1,1,GDB MedChem
102888,C[NH2+]C1C(C)CCC(=O)C1(C)O,0,GDB MedChem
370941,Cc1c2ccsc2c(C[NH3+])c2cccnc12,1,GDB MedChem
269893,C#CC1(C(CCO)NC(C)=O)C[NH2+]C1,0,GDB MedChem
37917,O=C1NCC2C(=NO)COC3CC3C2C1=O,0,GDB MedChem
78158,C#CC(C(O)CC1CC1[NH2+]C)[NH+](C)C,0,GDB MedChem
129949,CCCC([NH3+])C(C)C(CC)C1CCCCC[NH2+]1,0,GDB MedChem
83667,CC[NH+]1Cc2cc3c(cc2C1)C(C)(C)OC3C,0,GDB MedChem
315662,C#CC1=CCC2CC12CCCO,1,GDB MedChem
380969,CC(C)(O)C1C=CCC1(C)CCC[NH3+],0,GDB MedChem
207216,COCC1C=CC(N)C(C)([NH3+])C1,0,GDB MedChem
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270886,CC1C2C3=CCC(=O)C3C(CO)(CO)C12,0,GDB MedChem
22886,CCNc1cc(O)n(C2COCOC2C)c1C,0,GDB MedChem
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29835,[NH3+]CC#CC1C=CC2(C3CCCC3)CC2C1,0,GDB MedChem
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377456,C#CC1=CC(CCO)=C(C)CC(C)=C1C,0,GDB MedChem
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268829,C#CCC1C=CCC2CCOC12,0,GDB MedChem
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293030,CCc1c(C)oc(=NCC(C)O)n1C,0,GDB MedChem
369181,CC1CNC(=O)OC2C(CN)[NH2+]CC2[NH+](C)C1,0,GDB MedChem
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241177,COC(C)C(C)CC1C2C(=O)CC(=O)C12,0,GDB MedChem
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62250,COCCC#CCc1c(N)nc(N)[nH]c1=O,0,GDB MedChem
198879,C#CCCCCCC(CCCC)c1ccco1,1,GDB MedChem
377400,CCC1CC2=CC1C(=O)NC(=O)CC2,0,GDB MedChem
392693,CC1CC2C(=O)CC2C12CC2,1,GDB MedChem
94100,C=C(C#N)C=C1CC(O)C(O)C1O,1,GDB MedChem
183753,CC1C=C(c2cc(=NO)cns2)CC1,0,GDB MedChem
220601,CCCC1CCCC(Cn2nc(C)nc2C)O1,1,GDB MedChem
362119,C#CC(O)C1NC(=O)C(OC)C1O,1,GDB MedChem
349010,COC(C#N)c1cc2[nH]cnc2cc1F,1,GDB MedChem
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14039,CC1C#CC2OCC(C=C1)CC1(CC1)C2=O,0,GDB MedChem
320136,Cc1cnoc(=NCCC(=O)[O-])c1OC(C)C,0,GDB MedChem
312618,CC1(C[NH3+])C=CC(CCO)C1,0,GDB MedChem
187176,CC([NH3+])C(OCCC[NH3+])c1c([O-])oc(O)c1N,0,GDB MedChem
111798,C#CC1CC=CC(=O)Cc2[nH]ccc21,0,GDB MedChem
329144,N#CCOC1OCC(C[NH3+])CC1C[NH3+],0,GDB MedChem
47905,CC1=CC[NH2+]C(C)C(C[NH3+])C1,0,GDB MedChem
63320,CCC1([NH3+])CC(C[NH2+]C2CC2C)NC1=O,0,GDB MedChem
30816,C#CC(C)C(CC)[NH+](C)CCO,0,GDB MedChem
331088,CC1=C2CCC3=C(CC2OC1)C(=O)CC3O,0,GDB MedChem
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211093,CCC(CC(C#CC#N)=NO)NC1(C)C[NH2+]C1,0,GDB MedChem
185779,C1=CC23CC2C=CCC3CC1,1,GDB MedChem
352479,C[NH+]1CC(CC2CCC[NH2+]2)C2=CCCC21,0,GDB MedChem
224872,CC1=CC2=CCOCC3=C(CCC3)C2[NH2+]C1,0,GDB MedChem
321358,C#CC1OC(C)(CC)OCC1O,1,GDB MedChem
223081,CC(C)C1=CC23CC=CCC2C3C1,0,GDB MedChem
285501,COC1C(C)C(C)=CC12CCC2,0,GDB MedChem
76630,CCC1C2CCC2=CC2CC21C[NH3+],0,GDB MedChem
366114,C#CC1=CCN(c2ccc(C)[nH]2)C(=O)C=C1,0,GDB MedChem
127577,C[NH2+]C1(C)CC[NH2+]CCC1C,0,GDB MedChem
104834,[NH3+]CC1=C2CCC2N(C=O)CC1,0,GDB MedChem
13728,CCCCOc1ccc(C)c(CC(C)C)c1C,1,GDB MedChem
278722,C1=CC2CCC3CCCC23C1,1,GDB MedChem
310563,CC#CC1Oc2c(ccc(OC)c2N)C1=O,1,GDB MedChem
178547,C=C(CO)N1C(=[NH2+])NC(C#N)C1C,0,GDB MedChem
13276,CN1CC(c2ccccn2)C(C)(C)CNC1=O,0,GDB MedChem
16158,Cc1coc2oc(CC3(C)CCCC3C)cc12,1,GDB MedChem
136836,CCC(C)c1ccc(C2CC3CC=CC32)s1,1,GDB MedChem
282835,CC1CC23CCC2C[NH2+]CC13,0,GDB MedChem
330434,CCOC1(C)C(C)=CC=CCCCC1CC,0,GDB MedChem
369775,C#Cc1oc(OCCC2CC2)c(CO)c1[O-],0,GDB MedChem
305621,CC(CC[NH3+])C1C([NH3+])CC1O,0,GDB MedChem
169326,CC1OCC2C[NH2+]CC1C2O,0,GDB MedChem
187363,C#CC1C(C(N)C#N)C(C)(C(C)C)[NH+]1CC,0,GDB MedChem
16874,CCCc1cc(OCC)c(N)[nH+]c1C,0,GDB MedChem
226606,C[NH2+]C(C1CCC1)C1(OC)CC1,0,GDB MedChem
133415,Cc1cc(C)c2c(c1Cl)CCC21CCC1,1,GDB MedChem
95130,C#CC1N(C)CC(O)C1([NH3+])C1C=CCO1,0,GDB MedChem
371848,C=CC1C(=O)OC2CCNC1C2[NH3+],0,GDB MedChem
102969,N#CC=C(COCCO)C1COC1,0,GDB MedChem
356012,C#CC1CC2CC2[NH+](C)C1C,0,GDB MedChem
153893,CC1C=CCC2CC(=CC1)C(C(C)O)C2,0,GDB MedChem
320203,CC1(C2CC2)[NH2+]CC1CC1CC1,0,GDB MedChem
191630,CCC#CC1CC2CC(C)(C)C1[NH+]2C,0,GDB MedChem
57495,CC1(O)C(=O)C(=O)Cc2ccc(N)c(F)c21,1,GDB MedChem
10305,CC[NH+](C)C1CC12CCC=CC2COC,0,GDB MedChem
30811,O=C([O-])Cc1ccc(C2CCCC2)s1,1,GDB MedChem
380512,CC1=C(c2ccoc2C)NC(=O)CCC1,0,GDB MedChem
19070,CC1=CC(O)(C2=CC3[NH2+]CC=C3C2)CC1=O,0,GDB MedChem
38032,Nc1ccc2c(n1)CCC1=C(C2)NCC1=O,0,GDB MedChem
286194,COCc1cc(=O)c2c(Cl)c(N)c(C)cc2o1,1,GDB MedChem
52846,CC=CC(C[NH3+])C(O)c1ccns1,0,GDB MedChem
172221,CCCC(CCC(C)c1cocc1N)=NO,0,GDB MedChem
380670,C#CC(C)C1(C)C=C(C(C)(C)C)C(=O)O1,0,GDB MedChem
123761,C1CC(C2C[NH2+]C2)OC2(C1)CC2,0,GDB MedChem
327429,CCC(C)(C[NH3+])C1CC(C[NH3+])C1,0,GDB MedChem
281585,CC1CC1N1C(CO)CCS1(=O)=O,0,GDB MedChem
185799,CC12[NH2+]C(CC1C[NH3+])CC2CCO,0,GDB MedChem
35236,CCC1CCC(CC)C1(OC)C(C)C[NH3+],0,GDB MedChem
365423,CCC1CCC2CCOC3CC23O1,0,GDB MedChem
57386,C[NH2+]C1C(C)C1Cn1cnnc1,0,GDB MedChem
14979,CC[NH2+]C1CCC1(NC)C1OCCCO1,0,GDB MedChem
175206,CC1=CC=C(C)N(C)C(=[NH2+])N1,0,GDB MedChem
397319,CCC1(CO)C2C=CC1C(C#N)C2,1,GDB MedChem
138050,COCCC1=C2CC=C(C)C2CC2(CC2)C1,0,GDB MedChem
204973,Cc1c(F)ccc2c1N(C(C)C)CCC2(C)C,1,GDB MedChem
6210,N#CCC1CC2C=CCC=CC21O,0,GDB MedChem
138067,C[NH2+]C1CC2=C(COC)CC(C)C23CC13,0,GDB MedChem
363362,NC(=O)C1=CC(O)C([NH3+])C(C[NH3+])=C1,0,GDB MedChem
34510,C#CC(C)C1CC[NH2+]C2CC21,0,GDB MedChem
297452,C#CCCn1ncc(=O)c2ccc(O)cc21,1,GDB MedChem
36139,CC(=O)NCCNCC[NH3+],1,GDB MedChem
356990,C#Cc1c([O-])cc(F)c2c(CC)ncc(C)c12,0,GDB MedChem
222950,CC(=O)CN1C=CCC1=O,1,GDB MedChem
131430,C[NH2+]CCNc1nsc(=NC2CCC(C)C2)[nH]1,0,GDB MedChem
162257,C=C1C[NH2+]C2(C)CCC(C1=C)C2C,0,GDB MedChem
373347,C#CCNc1csc(=[NH+]C(C#N)CC)[nH]1,0,GDB MedChem
187786,CCCCCC(C)(CC(C)C(C)(C)C)OCC,1,GDB MedChem
133131,COC12CCOCC=C3CC(CC1)C32,0,GDB MedChem
285482,C[NH+]1CCOC2CCC(=O)C=C(C2)C1,0,GDB MedChem
377387,CC1C=CCc2cc(NC=O)oc2C[NH2+]1,0,GDB MedChem
59537,COC1C(=O)C2NC(=O)NCC21C,0,GDB MedChem
194377,CC(c1cccc(N)c1N)C1C2CCC1CC2,1,GDB MedChem
89837,C#CCC1=CCC2CC([NH2+]C)C3CC(=C1)C23,0,GDB MedChem
286053,CCC1N(C=O)C(=N)NC1(CC)CC(C)(C)O,0,GDB MedChem
291384,CC1C=C(C(C)(C)O)CC1=C1CCC1C,0,GDB MedChem
129979,CC(O)COC1C(C)OC1C#N,1,GDB MedChem
183531,CCc1sc(=NCC(O)C(C[NH3+])OC)sc1[O-],0,GDB MedChem
307360,C[NH2+]C(C)(CO)C(C)(C)OC(N)=O,1,GDB MedChem
127830,C#CC1[NH2+]CC(CCC(C)CO)CC1CCC,0,GDB MedChem
13626,CCC(C)CCc1onc(C)c1CNCC#N,1,GDB MedChem
370928,CCC12CCC(CCc3ccc(C)cc3N1)C2,0,GDB MedChem
8872,C#CC(OC)c1c[nH+]c(NC)[nH]1,1,GDB MedChem
216214,CC[NH+]1CC2=CCC(C)(CO)C2=C(C)C1,0,GDB MedChem
347167,CCC1C(=NO)C2[NH2+]CCCCC12C,0,GDB MedChem
45197,CN1CCOCC(=O)C1(C)C,1,GDB MedChem
128137,C#CC1(CCCCC)CC[NH2+]1,0,GDB MedChem
267257,C#CCCc1oncc(=O)c1C(C)=O,0,GDB MedChem
133542,CCC1CC=CC(C)C1=O,1,GDB MedChem
369353,C[NH+](C)C1CCC2CC(=O)OC2C1O,0,GDB MedChem
331087,CC1CC(=C2C=CC=CC2)CCO1,0,GDB MedChem
56992,CC(C)(C)C#CC(C)(C[NH3+])Nc1cnn[nH]1,0,GDB MedChem
387166,CC(C)(CC#CC1CC1)C1CC1,1,GDB MedChem
348338,CCC1CCNC(=O)N(C=O)C(=O)C1,1,GDB MedChem
62424,C[NH2+]C(C)(C)C(C)(O)c1ccccc1,0,GDB MedChem
307349,C#Cc1c(Cl)c(CC)c(C)c2sc(C)cc12,1,GDB MedChem
81225,C#Cc1c(C[NH3+])cc(C2CC([NH2+]C)C2)n1C,0,GDB MedChem
2498,CC1(C)C2CCOCC1C(CC[NH3+])O2,0,GDB MedChem
183709,N#CC1=C2C=CC(CCC=C1)C2,1,GDB MedChem
52894,CC1=CC2[NH2+]CC3=CCC(=CC(C)(O)C1)C32,0,GDB MedChem
169575,CCOC1C2C=CC(NC=O)=CCOC21C,0,GDB MedChem
358670,CC1=CC2C(=O)C1(C)C=C(C#N)C2C,0,GDB MedChem
253355,OCCC[NH+]1CCC2(CC2)C1,1,GDB MedChem
364698,CCOCC1(c2oc([O-])cc2O)CC(C)C1,0,GDB MedChem
343885,COC1C[NH+](C(C)C(C)C)C1,0,GDB MedChem
105560,C[NH2+]c1c2cc(O)[nH]cc-2cc1C1CC1,0,GDB MedChem
3557,C#CCCC1Cc2c(C)ccc(F)c2C1(C)C,1,GDB MedChem
142982,CC(CNC=O)C1CC1O,0,GDB MedChem
145550,CCCCCCc1cc(CC(C)(C)C)cs1,1,GDB MedChem
371628,Cc1cc(O)c(C#Cc2ccsn2)[nH]1,1,GDB MedChem
82199,C#CCCC(C#N)(CC)c1c(C)oc(O)c1C,0,GDB MedChem
291090,CCC1CC2(C=CC3C[NH+]2CC3C)C1,0,GDB MedChem
208682,CC=CC(CN(C=O)CCC)[NH2+]C,0,GDB MedChem
9144,CCC1=CCC2OCC(C)=C12,0,GDB MedChem
188430,Cc1cccc2c1CC1CC=CC1=CCN2,0,GDB MedChem
318433,N#CCC1Cc2c(Cl)ccc3c2C(C1)C(=O)O3,0,GDB MedChem
218143,C#CC(N)C1CC2(CC=CC2)[NH2+]1,0,GDB MedChem
306572,Cc1[nH]c(CC#N)nc1Oc1ccncc1,1,GDB MedChem
18536,C=C(C)C1CC2C[NH+](C)C(C1)C2[NH3+],0,GDB MedChem
396005,CN1C(=O)CC2OCCOC(C#N)C21,0,GDB MedChem
176372,C1=C2COCCC2C2(CC1)CC2,0,GDB MedChem
119517,CC(C)CCC(C[NH3+])n1ncoc1=N,0,GDB MedChem
98130,C[NH2+]C1(CCCC#N)CC1C(C)[NH3+],0,GDB MedChem
149084,C#CC1(C[NH2+]CCC2CC2)CCO1,0,GDB MedChem
133095,C[NH+](C)CC(CCCC(C)(C)C)CC(=O)C#N,0,GDB MedChem
101717,C#CC1OC(=O)CC2=C1C=CCC=C2,0,GDB MedChem
323623,CCC1OCC=C(C)C([NH3+])C1(C)CCO,0,GDB MedChem
370814,C#CC1(CC)C(CCC(C)C)CC(C)OC1C,0,GDB MedChem
84620,C#CCC1OC(C#N)C2=C3CCC3OC21,0,GDB MedChem
326008,N#CC1C(O)C1C#CC(N)=O,1,GDB MedChem
137573,CC1C[NH2+]C2CC3CN(CC3=O)CC2C1,0,GDB MedChem
51791,CCC#CCOc1ncc(C(N)=[NH+]C)cn1,0,GDB MedChem
185875,CCC1CCC2(CC2)CC(C)C1[NH3+],0,GDB MedChem
161544,CN1CC2NC(C#N)C=CCC(C)(C1)C2[NH3+],0,GDB MedChem
123339,CCCC1=CC(C)CC2C(C1)C[NH+]2C,0,GDB MedChem
123100,CC#CC1=C2C(=NO)C(=O)C(C)=CC2[NH2+]C1,0,GDB MedChem
52184,NC(=O)CN1CCOCC1,1,GDB MedChem
267252,CCC(C)OCC(C)(C)C(C)[NH2+]C(C)C(C)C,0,GDB MedChem
44207,O=C1CCCCC2CC2OCO1,0,GDB MedChem
218619,CC1CC2C[NH2+]C2C=CC[NH2+]1,0,GDB MedChem
320176,CCOCC1C=CCO1,1,GDB MedChem
82264,C(#Cc1cnsc1)CC12C=CC(C=C1)C2,0,GDB MedChem
111828,CC1C(=O)CC2C(C)C2OC1=O,0,GDB MedChem
164959,CC(C)(O)C[NH2+]C(CC[NH3+])c1ccsc1[O-],0,GDB MedChem
245626,CCCCCc1cc(CC)c(C)n1C,1,GDB MedChem
187278,CC[NH2+]CC[NH2+]CC1CC(C)C1,0,GDB MedChem
191764,CC(=O)C12CC(C)C1=CCC1C[NH2+]CC1O2,0,GDB MedChem
161885,CC1=CCC2=C(CC1)COCC2,0,GDB MedChem
16553,CCCC1=CC(OC)CCC1[NH3+],0,GDB MedChem
133422,CCCOC(C[NH3+])C(O)CO,1,GDB MedChem
276650,COC1C2C=CC=CC1C=C2,1,GDB MedChem
279524,CCCC1CC(CC(C)C)CC1([NH2+]C)C(C)C,0,GDB MedChem
101781,CC1NCC2C(O)C2CN(C=O)C=C1C#N,0,GDB MedChem
136834,CNC1(C)C(=O)C(=O)C=C(C#N)C1OC,0,GDB MedChem
196191,N#CC1COC2CC2CN1C(N)=[NH2+],0,GDB MedChem
23156,C#CC1=C(C#N)C2=C(CCC2)CC(CC)=C1,0,GDB MedChem
348334,C#CCCCc1ncn(C)c1C,1,GDB MedChem
123907,CC#CC1=CC2CCCC(C=C2C(C)O)C1,0,GDB MedChem
388365,C[NH+]1CCCC=CC(NC=O)C1,0,GDB MedChem
178943,C#CCC1(CCO)[NH2+]CC1OC,0,GDB MedChem
336541,CCCC(NC=O)C1C(O)C1OC,0,GDB MedChem
7578,C#CC1C(CCCC(C)=NO)OC1(CC)CC,0,GDB MedChem
33355,CCCCC[NH+](C)C(CC)CC,1,GDB MedChem
50850,Cc1cc(CC2=CC(=O)C(C)NC2)c[nH]1,0,GDB MedChem
113339,C=C(C)N(C1(C)CCC1)S(=O)(=O)CO,0,GDB MedChem
230981,O=C1[CH-]C(=O)c2oc3cc[nH]c3c2CCOC1,0,GDB MedChem
10902,C#CCC1(C)CC(C)OC1C#N,0,GDB MedChem
88951,CC1=Cc2sccc2CC=CC=C1,1,GDB MedChem
187814,CC1OCC=C(CO)C1(O)CO,0,GDB MedChem
37892,CC(C[NH3+])C1CC([NH3+])C(C(N)=O)C1,0,GDB MedChem
117269,CC#CC=CC1(C)C=C(C)C=C1C,0,GDB MedChem
153069,CCC1C2CC(=O)C2C12CC2,1,GDB MedChem
76034,O=C1CC(CC2NCC#CC=CCC2=O)O1,0,GDB MedChem
196212,Cc1c(C)n(C(=O)CCO)ncc1=O,1,GDB MedChem
72911,CCC(C)C1CCC(=O)CCO1,1,GDB MedChem
285450,N#CC1C=CC([NH+]=C(N)N)C1,0,GDB MedChem
14432,CC(=O)C(CC1CCC(O)CO1)C(F)(F)F,1,GDB MedChem
224288,C#CC(OC(C)(C)CC[NH3+])C(C)(C)CC(C)O,0,GDB MedChem
84609,C1=CCC2(C=C3CCC3[NH2+]C2)C1,0,GDB MedChem
53558,C#CC1C(O)C2C(=O)CCN12,0,GDB MedChem
121442,CCCC1(C[NH3+])C(CC)C=C(C)C1C[NH3+],0,GDB MedChem
251695,CNC(C(N)=O)C1(C)C[NH+](C)CC1CCC[NH3+],0,GDB MedChem
358787,CC(=O)C1CC=CCC12CC=CCOCC2,0,GDB MedChem
372020,CCN1CCC(O)(C#N)C1C(C)[NH3+],0,GDB MedChem
7525,CCCC1=CN(C=O)CCC([NH3+])C(C)C1,0,GDB MedChem
266964,CC1(C)NC(=O)CC1NC1C=CC[NH2+]C1,0,GDB MedChem
72610,COC(C)CC([NH3+])C(C)(C)C(C)C,0,GDB MedChem
334938,C=CC(O)C(=C)C(=C)C#CC(=O)[O-],0,GDB MedChem
236497,CCC1(C2CC2C#N)C[NH2+]C1,0,GDB MedChem
69763,COCC(C)(CO)Cc1c[nH]c(C(C)(C)C)n1,1,GDB MedChem
152680,C#CC1CC2(CCCC(CC#N)CC2)CC[NH2+]1,0,GDB MedChem
282095,CCCCC(O)(CCCC)c1ncccc1C,1,GDB MedChem
94564,[NH3+]CCC1CC2CC(C[NH3+])OC12,0,GDB MedChem
113919,C=CCC1(O)CCC2C(C[NH2+]C)C21,0,GDB MedChem
175031,CC1=CCCCc2c(C3CCC3)n[nH]c2C1,1,GDB MedChem
282402,CCC1=C(C)CC2=CC(CCC2)[NH2+]C1(C)C,0,GDB MedChem
212487,COc1ccoc1C(C)(NC(C)C)C(O)C#N,0,GDB MedChem
94279,[NH3+]C1C=CC2CNC(=O)C([NH3+])CN2C1=O,0,GDB MedChem
169956,C#CCCC(C)(C)C(C)OC(CC)CCCC,1,GDB MedChem
306670,CC1C=CCC1=C1CC2C=CCC12C#N,0,GDB MedChem
362536,O=C1C(O)C=CC1C1=CC[NH2+]C1C(=O)[O-],0,GDB MedChem
52125,C#CC(C)N1CC(=O)C(OC)C(=O)C1,1,GDB MedChem
254021,CC1C(=O)C2C=CCC=C3CC=CC312,0,GDB MedChem
183807,CC1CC2C[NH2+]C1C2C[NH+](C)CCC1CC1,0,GDB MedChem
364108,CCC1C(CC#N)C[NH+](CCO)C1CCOC,0,GDB MedChem
272672,CCOc1c(C)ccsc1=O,0,GDB MedChem
104147,CC1(CO)OC(=O)CCC1O,0,GDB MedChem
285039,CC([NH3+])C12CCC(C1)[NH2+]CCN(C=O)CC2C,0,GDB MedChem
306767,CCCC1([NH3+])CC2=C(C)CC(CC#N)C21,0,GDB MedChem
255774,N#CCOCCc1cc(N)[nH]c1O,0,GDB MedChem
358006,Cc1ncc(C#CCC(C)OC(N)=O)o1,1,GDB MedChem
66436,c1c[nH+]c(CCCC2COC2)[nH]1,0,GDB MedChem
195059,OCC1CC2CC(CC2O)[NH2+]1,0,GDB MedChem
46996,CC(=O)C1C2C(O)CC(O)C12,1,GDB MedChem
387813,CCCc1cc(OC)sc1C(CC)(CC)OC,1,GDB MedChem
351514,C=C1CC23CC2CC=C(C)C3C1C,0,GDB MedChem
172166,CC1C=CC(CC([NH3+])C(O)C(=O)[O-])O1,0,GDB MedChem
115835,CC1(C)CC=CC1C(=O)c1ccsc1,1,GDB MedChem
292411,CC1CC(c2ccc(N(C)C)n2C)C(O)C[NH2+]1,0,GDB MedChem
212715,CCC(C)=C(CO)C1CC=CC1O,0,GDB MedChem
306088,CCOC1CCC2(C)C([NH3+])C2O1,0,GDB MedChem
347735,CC#CC1=CCC=CCC[NH2+]CC=C1C,0,GDB MedChem
315963,CC([NH3+])CC(C)(C)C([NH3+])C(C)O,0,GDB MedChem
212031,CCC1CNC2=C1S(=O)(=O)CCCC=CC2,0,GDB MedChem
191787,NC1C#CC([NH3+])CC2C=CC1[NH2+]CC2,0,GDB MedChem
103966,C#Cc1cccc2c1C(=O)OCC(C(C)C)C2,1,GDB MedChem
162217,C#C[C-](C#N)C(=O)N1CCCC1=C,0,GDB MedChem
116668,C[NH2+]C(C(=O)[O-])C(N)C1CCCC(=O)O1,0,GDB MedChem
3095,CCOC1C[NH+](C)C(C)(C)C1,0,GDB MedChem
281360,C#CCC1CCCC12C(C)C2COC,0,GDB MedChem
65126,CCCC1=CC2OCC3[NH2+]CC3=CC2C1=NO,0,GDB MedChem
63737,CC(C)(C)N1C(=O)C=C2CCC21,1,GDB MedChem
305723,C#CCC1(C2CCC2C)CC(C[NH3+])C1,0,GDB MedChem
149248,CCC(C#N)(CO)C(C(=O)C(=O)[O-])C(C)O,0,GDB MedChem
270642,CCC(C#N)CC#CC1(O)CCC=C1C,0,GDB MedChem
41939,Cc1[nH]nc(NC(C)C2CCOCCO2)c1[O-],0,GDB MedChem
369021,Cc1ncc(C(=O)CCO)c(N)n1,1,GDB MedChem
353514,CCC1=CC=CC(=O)CC2(COC2)OC1,1,GDB MedChem
169948,C#CC1Cc2c(C)cc(O)n2CC([NH2+]CC)C1,0,GDB MedChem
358779,C[NH2+]C1CCC=C(C(C)=O)CC2(CC2)C1,0,GDB MedChem
392671,CC1=CC2([NH3+])CCCCOC(=O)C2C1,0,GDB MedChem
78079,CNc1c(CC#N)[nH+]cc(N)c1N,0,GDB MedChem
217827,[NH3+]C1C=C(CO)CC(NC=O)COC1,0,GDB MedChem
94,C=CC[NH2+]C1(C)CCCCC(=O)C1,0,GDB MedChem
118328,CCCC1=CC(C)C(C[NH3+])CCC1C,0,GDB MedChem
113788,CC1CCC(OCC2CC(O)C2)O1,1,GDB MedChem
171235,C#Cc1c(COCC)sncc1=O,0,GDB MedChem
10388,CCC1C(C#N)=CC2CC2C1[NH3+],0,GDB MedChem
331056,N#CC1OCC2(CCC2)CO1,1,GDB MedChem
52921,C=CC(CO)(C(C)=NO)C1CC(=O)O1,0,GDB MedChem
174478,C#Cc1cocc1CCNc1ncn[nH]1,1,GDB MedChem
253389,CNCC1CC2CC2C(C)[NH2+]1,0,GDB MedChem
62859,C#CCC1=C(CC#N)CCC(C)C1C,0,GDB MedChem
277486,C=CC=C1C(O)CNC(=O)C2CC12,0,GDB MedChem
313286,CC1=CCC2OC3C(C)C3C=C2C=C1,0,GDB MedChem
178873,C#CC1([NH2+]CCCC[NH3+])CN(C)C1C,0,GDB MedChem
364683,CCn1cnc(N)c2ccc(CCCCO)c1-2,1,GDB MedChem
271874,CC1=CCC(C)(C)C([NH3+])C#CC=CC1,0,GDB MedChem
241888,CC1CCC#CCCc2cc1sc2CO,0,GDB MedChem
44849,CCNC(N)=[NH+]CC1(C)C(=O)CC1OC,0,GDB MedChem
171359,NC1=CC(=O)C2=C(N)COC12,0,GDB MedChem
114230,CC1C[NH2+]C2C(NC=O)C(=O)C12,0,GDB MedChem
178444,CCC1C2CC(C)[NH+]2CCC12C=CC[NH+]2C,0,GDB MedChem
395196,[NH3+]CC1=C(C2CC2)C(=C2CCC2)CC1,0,GDB MedChem
393787,C=CC1=CCC(C#CC)C2COC12,0,GDB MedChem
165574,CCCN(C=O)C(=O)NC1C(C)C1[NH3+],0,GDB MedChem
184573,COCC1=C2C(CCC3OCCCC23)[NH2+]C1,0,GDB MedChem
315449,[NH3+]C12CC3=CC=CCOC3CC1C2,0,GDB MedChem
352271,CC[NH2+]CC1C2CC2[NH2+]C1(C)C,0,GDB MedChem
183945,COCC1([NH3+])CC(C)CNC(=O)C(O)C1C,0,GDB MedChem
198148,[NH3+]CCCCCN(C=O)C=CCO,0,GDB MedChem
86605,CCC1(c2ccc(C)s2)CCO1,1,GDB MedChem
110883,CC(O)C1CNC(=O)CNC(N)=[NH+]C1C,0,GDB MedChem
311276,CC1CCC(C(C)O)OC1,1,GDB MedChem
193404,CCC([NH3+])C1(C[NH3+])OC(=O)NC1C,0,GDB MedChem
314007,COC(C)(C)CC(=O)N1CC(O)C(N)C1=O,1,GDB MedChem
343174,C1=CC2C3=CCCC3=CC2C1,1,GDB MedChem
375219,N#CC1CNC2CN1CC2=O,1,GDB MedChem
227236,C#CCC(O)C(C[NH3+])COCCOCC,0,GDB MedChem
327446,C#CC1([NH+]2CC(CC)C2CC)CC1,0,GDB MedChem
365988,C[NH2+]C12CNC(=O)COCC1C2N,0,GDB MedChem
132955,C#CCc1c(CCC)[nH]c2cc(C)cc-2c1C,0,GDB MedChem
66543,CC(C)c1cccc2c1CNCS2(=O)=O,1,GDB MedChem
152473,C#CC1C(CC(C)(C)C)CCC1(O)CC,0,GDB MedChem
245894,CC1C2=CC=CC(O)C#CC1(C)CC2,0,GDB MedChem
35,CC1=CC(O)C(O)C[NH+]2CC=CC1(O)C2,0,GDB MedChem
104185,COCC1C=CCC1C(C)N=C(N)S(N)(=O)=O,0,GDB MedChem
187156,C#CC1=CC(CC)C2CC(C#N)=CC=CC12,0,GDB MedChem
215966,CCOC(C(C)C)(C(C)C)C1CCC(C)CC1,1,GDB MedChem
153082,CC(=NO)C1=CNC2CC3CCC[NH+]3C12,0,GDB MedChem
183823,C#CC1=CCC(=O)CC=C2CCC2CC1,0,GDB MedChem
287577,C[NH2+]CCn1ncc(=N)c(N2CC=CC2)n1,0,GDB MedChem
346061,CCC(CCCO)C12OCCC(OC1=O)C2O,0,GDB MedChem
71809,CC(C[NH3+])C1(CC(N)=O)C2CCCC1C(=O)O2,0,GDB MedChem
164073,CC1C2=CCC3CCCC(=C23)C1C#CCO,0,GDB MedChem
232566,C(#Cc1ccco1)C1=CCOC1,1,GDB MedChem
68977,CCC1=CCCOC2C=C(C=C1CC)CC2,1,GDB MedChem
154189,Cc1ccc(C(C)c2ccccc2)cc1C#N,1,GDB MedChem
133401,O=C1C=C2C=CCCC(C3CC3)=C2N1,0,GDB MedChem
234640,CC1(C(=O)C2=CCCC2)CCC1,1,GDB MedChem
245166,N#CC(C[NH3+])C1=CC=CC=CC1[NH3+],0,GDB MedChem
253827,N#CC1CC(=NO)CCN1,1,GDB MedChem
19802,C#CC1CC(CO)C1NCC[NH3+],0,GDB MedChem
17226,CC1CCC(c2ncc[nH]2)[NH2+]1,0,GDB MedChem
48909,CC(C)C(C)(C)CC1(CC(N)=O)CC=CC1,0,GDB MedChem
367549,C#CCC(C)(CC[NH2+]C)c1cc(C)cc(=O)o1,0,GDB MedChem
183510,C#CC1CC([NH3+])CC[NH2+]1,0,GDB MedChem
52836,C[NH2+]C(CN)C(c1cc(C)[nH]c1N)C(C)C[NH3+],0,GDB MedChem
371872,C#Cc1c2c(C(N)=[NH2+])n[n-]nc-2ccc1=[NH2+],0,GDB MedChem
389313,CC1C2CC[NH+]2CCC1(C)C,0,GDB MedChem
146234,C#CC1(Cc2c(C#N)cccc2CC)CC1,1,GDB MedChem
192689,CCCC1(C2CCCC2)CCCc2cscc21,0,GDB MedChem
292050,CC1(C)CC(C[NH3+])NC(=O)N1,0,GDB MedChem
367234,CC(=NO)C1CC(O)(CCC(N)=O)C1,0,GDB MedChem
48404,C#CC1=CC(CC#N)C2CC12CCC,0,GDB MedChem
339171,CC(C)OCC1=C(C[NH2+]CCO)C([NH3+])CC1,0,GDB MedChem
172158,C#CCC1(CC)C([NH2+]CC)CCC1C(C)CC,0,GDB MedChem
268907,Cc1cnc(C)n1-c1ccc(CC#N)s1,1,GDB MedChem
292616,CC(C)C1=Cc2cc(C[NH3+])c(O)cc2CC1,0,GDB MedChem
32881,CCc1cc(C)oc2c(C)c(=O)oc1-2,0,GDB MedChem
5963,C#Cc1c[nH]c(C)c1C(C)(CC)CCC(C)O,0,GDB MedChem
300609,C=C1CC2OC(C[NH2+]C)C=C2C1O,0,GDB MedChem
193388,OCC1CC(CC2CC2)C=CC12CC2,0,GDB MedChem
277514,CCCC1c2sccc2C=CC(C)C1C,1,GDB MedChem
5133,CCC([NH3+])C1OC2CNC21,0,GDB MedChem
217626,CCCOCC1=CC(=O)C(C#CC#N)C1,1,GDB MedChem
294100,O=C(CCO)C1CC2OCC1O2,0,GDB MedChem
195116,N#CC1(O)CC(=O)COC1C1CCO1,0,GDB MedChem
271923,N#CC1C2CC([NH3+])C1CO2,0,GDB MedChem
267825,CC(C)c1cc(N)c(CCO)o1,1,GDB MedChem
521,CC1=C2C(=CCC2C)CC(C)C=C1,0,GDB MedChem
116160,N#CCC1OCC2C([NH3+])C2O1,0,GDB MedChem
147722,CC1C=CCC2(C#N)CC2C1CO,0,GDB MedChem
286917,C[NH2+]C1(CO)CCC1CC(=O)N1CCCC1,0,GDB MedChem
68994,C[NH+]1CC=C2CCC=C2C12CC2,0,GDB MedChem
290705,CCC1(C#CC#N)CN(C)C=C(C)C(=O)O1,0,GDB MedChem
45449,CCC1(c2cccc(NCC#N)c2)CC1,1,GDB MedChem
191031,CC#CC1CC2([NH3+])CCCC2COC1C,0,GDB MedChem
228232,CC1C=CC2CCC3(C=C2C(C)C1C)CC3,0,GDB MedChem
222309,C[NH2+]CC(=O)C1=CC2OC1C(O)C2=O,0,GDB MedChem
332063,CC1=C(C)c2ccsc2CCC=CC1,0,GDB MedChem
16197,N#CCC12CCn3cncc3CCC(C1)[NH2+]C2,0,GDB MedChem
36574,COC(CC#N)CC(=O)C1CC1,1,GDB MedChem
195915,Cc1oc(CC#CC(C)C)c2c1C=CCC2,1,GDB MedChem
355561,CC1CCC=CCCC2=C(C1)C1(CC1)OC2,0,GDB MedChem
91407,CC1CCC#CCC(O)C([NH3+])C1C#N,0,GDB MedChem
31492,CC1(CO)C(O)C2COC21,0,GDB MedChem
261868,C#Cc1ccc(C)c2cc3[nH]c(C)ccc-3c12,0,GDB MedChem
115825,CC(C)(O)CC1(CO)CC1O,1,GDB MedChem
290031,C=C1C(C)C=C2C([NH3+])CC2(C)C1C,0,GDB MedChem
323532,C[NH2+]C1CCC(=O)C2OC(C)CC12,0,GDB MedChem
116327,C#CCC(=O)Oc1ncccc1COCCC,1,GDB MedChem
5120,CC([NH3+])C1CC=CC2CC2[NH2+]C1,0,GDB MedChem
264834,C=CC1C=C(C([NH3+])CC(=O)[O-])C[NH2+]1,0,GDB MedChem
100552,CCC1(C(C)C)CC([NH2+]C)CC(C)CCC1[NH3+],0,GDB MedChem
339507,CN=c1cccnn1CCO,1,GDB MedChem
376900,[NH3+]C1C=C(CNC=O)C2CCC12,0,GDB MedChem
93931,C#CC1(c2cc(C#N)c(C)[nH]2)COC(CC)C1,0,GDB MedChem
71038,CCOCCC1C2C=C3CC=CC3=CCC21,0,GDB MedChem
138320,CC1C=CC2CC2(CC#N)[NH2+]C1,0,GDB MedChem
132805,C#CC1COCC=C(C(=O)[O-])C1[NH2+]C,0,GDB MedChem
262868,C[NH2+]CC1CC([NH3+])(C#CC2CC2)C1,0,GDB MedChem
1174,CC1OCC1C1(C)CNC(=O)N(C)C1,0,GDB MedChem
46969,[NH3+]C1CC(=C2C=C3CC=C(CO)CC3C2)C1,0,GDB MedChem
377386,CC1=CC2C=CC=C(C[NH2+]2)CC(O)S1(=O)=O,0,GDB MedChem
360388,CCC1CCC2CC3(C=C12)CC3COC,1,GDB MedChem
174726,C#CC(C(=O)[O-])C([NH3+])CC[NH3+],0,GDB MedChem
353659,CC1=C(CC2=CC3(COC2)CC3C)CCC1,1,GDB MedChem
332006,C#CC1C(CC)C1N1C=CCCNC1=[NH2+],0,GDB MedChem
181973,CC1=CC#CC=CC=CCC1C1(C)CC1,0,GDB MedChem
397589,[NH3+]CC1C=C2C(CC([NH3+])C2CO)N1,0,GDB MedChem
351017,C#CC1CC(O)CCC(=O)OC(C#N)C1,0,GDB MedChem
228681,C#CC1(CC(C)[NH2+]C)CCC(c2ccco2)O1,0,GDB MedChem
197855,CC1=CC(O)C(OCC[NH3+])OC1CO,0,GDB MedChem
5641,CN1C=CC2(CC2)NC1=O,1,GDB MedChem
111209,CCc1ccc2c(c1C)C(C(C)CC#N)OC2,1,GDB MedChem
7498,COC(C)C1=C(CS(=O)(=O)[O-])C(=O)CC1,0,GDB MedChem
370503,C[NH2+]C12CC1C(C)CC2[NH3+],0,GDB MedChem
278346,CC([NH3+])COCCOCCO,0,GDB MedChem
183103,C#CC1OC2CC(O)(CC)CCCC12,0,GDB MedChem
11980,CC1=CC2(CC[NH3+])CC[NH2+]C1C2,0,GDB MedChem
285326,N#CC#Cc1nnoc1C(=O)N1C=CCC1,1,GDB MedChem
198598,CC1=CCCCCC2=CCCC(=O)C(=C1)C2,0,GDB MedChem
290721,C=C1C=C(C2(C)CC2)C(OC)C1[NH3+],0,GDB MedChem
279517,CC1=CC2=C(CCC2)C(C2CCO2)C(C)=C1,0,GDB MedChem
163727,CC1CCc2ccoc2C(C2=CCOC2)[NH2+]1,0,GDB MedChem
270657,CCC12CCC1C(C)[NH2+]CC2C,0,GDB MedChem
212526,COCC1C([NH3+])C1(N)CC#N,0,GDB MedChem
36330,Cc1cnc(C2OCC(C#N)C2C)cn1,1,GDB MedChem
283011,CC1=CC(C)(C#CCO)OC2CC(=NO)C1C2,0,GDB MedChem
57594,C=CC(=C)C1=CCC2C(C=C)[NH2+]C12,0,GDB MedChem
197343,C#Cc1ccc(C(C)C)sc1=N,0,GDB MedChem
109972,C#CCC([NH3+])C1CC(CC)C(C)C1(CC)CC,0,GDB MedChem
336292,CCC1=CC(C(=O)[O-])C=CCC=CCC1,0,GDB MedChem
170915,CCC(CC)CC1CC12COCC2C,0,GDB MedChem
275811,CC1(C)CC=C(N(C=O)S(=O)(=O)C#N)C1,0,GDB MedChem
325525,O=C1CC(=CC=CCO)CC1CO,0,GDB MedChem
178169,N#CC1C=CCOCC([NH3+])C1O,0,GDB MedChem
66571,CCCOC(=O)CC1NCC1[NH3+],0,GDB MedChem
63944,COCC1(O)C2C(C)C(C)C21,0,GDB MedChem
223353,CCc1c(COC)cc(=NC)sc1C,0,GDB MedChem
397247,C[NH+]1CC2=CCN(CC[NH3+])CC(C)(C)C21,0,GDB MedChem
339673,C1=CC2CCC3CC[NH2+]C23C1,0,GDB MedChem
247886,CCC[NH+]1CC2CC1CC2C,0,GDB MedChem
62895,CCC([NH3+])C1CC1C([NH3+])CO,0,GDB MedChem
163982,CCC(=O)C1(OCC(=O)[O-])CC1,1,GDB MedChem
138070,CCC1C([NH3+])C=CC2CC21OCS(=O)(=O)[O-],0,GDB MedChem
228928,C=CC1CC2CC2C(=C)C1C=CC,0,GDB MedChem
368375,CCC1=CC(=O)C=C2CC(C)=CC[NH+](C1)C2,0,GDB MedChem
203084,CCC1COC(=O)C(=O)C1C#N,1,GDB MedChem
226828,[NH3+]C1CNC2CC2([NH3+])C(CO)OC1,0,GDB MedChem
375630,[NH3+]C1CCCC(Oc2ncsn2)C1,0,GDB MedChem
149077,CC1=CN(C(=O)CCO)CC1O,0,GDB MedChem
375299,CCCc1nc(OCC)nc(O)c1NC,1,GDB MedChem
392922,CC1C=CCCc2ccc(N)nc21,0,GDB MedChem
299851,CCc1cc(O)cc2nc(CO)sc12,1,GDB MedChem
162275,C#Cc1ccc2c3c1N(C)CC3(OC)CC2,0,GDB MedChem
224429,CCC1CC(=O)C2CC2(C(C)C)[NH+]1C,0,GDB MedChem
397610,CC1CC2C(CO)C2C1(C)C,1,GDB MedChem
210032,CCCN(c1cn(C)c(=O)c([O-])[nH+]1)C(C)C[NH3+],0,GDB MedChem
57540,CCC[NH2+]C1CC2CC1C(C)N2C(=O)C#N,0,GDB MedChem
179716,CC(C#N)COc1ccsc1,1,GDB MedChem
7997,Cc1ccn(C(=O)NC(C)C)c1,1,GDB MedChem
86223,C#CC1(O)C(CO)NC1C(C)O,0,GDB MedChem
266807,C[NH2+]C1C(C(N)=O)C1(O)C#CC[NH3+],0,GDB MedChem
17268,NC(=O)CC1=CC(=NO)C=C(N)C=CC1O,0,GDB MedChem
196179,C#CC1(C[NH3+])CC=CC2CCC2C=CC1,0,GDB MedChem
115857,CC1C(=O)CC1C(C)(C)CC1CC1O,0,GDB MedChem
145438,CC1=Cc2cc(sn2)CCOC(C)C1,0,GDB MedChem
369392,CC[NH2+]C1CCCCC2(CO)COCC1C2C,0,GDB MedChem
343891,CC(C#N)CC(O)C(C)([NH2+]C(C)(C)C)C(C)[NH3+],0,GDB MedChem
223079,CC(C)C1CC23CC2CC1[NH+]3C,0,GDB MedChem
333261,C#CC(O)C12C[NH2+]C1CC=CC=CC2=O,0,GDB MedChem
76863,CC12C=CCC(c3ccccc3)=CC1C2,0,GDB MedChem
38284,C=CCN(C)C1(C#N)CCC(=O)C1,1,GDB MedChem
236917,CC1OCC2NC1COCC2=O,0,GDB MedChem
15000,C=C(C[NH2+]CC)C1C=C(C)C2CC12,0,GDB MedChem
381011,C=C1CCC2(CCC2=CCO)C1C,0,GDB MedChem
223596,CCC(CC)C1([NH3+])C[NH2+]C(C)CCCC(C)C1,0,GDB MedChem
122542,CC1[NH2+]C2CC(C(C)C)C=C12,0,GDB MedChem
389289,CCC1CCC2(CC2)C2CCC1[NH2+]2,0,GDB MedChem
60257,C=CCCCC#CC=CC(C)C[NH3+],0,GDB MedChem
10954,CC1NC(=O)OC12CC2CCC#N,0,GDB MedChem
138273,COc1c[nH]c(=O)c(C)n1,1,GDB MedChem
155918,C#CC1CC([NH2+]C2CC(C)C2)C1,0,GDB MedChem
140439,O=CNC1=CCC(O)CC1=O,0,GDB MedChem
220864,C#CC1[NH2+]CC1=CCNCC[NH2+]C,0,GDB MedChem
152678,CC=C1NC(=O)NCC12CCOC2,0,GDB MedChem
195649,c1cc(COCC2CC2)co1,1,GDB MedChem
370829,COCC1CC(OC)CC1CC(C)=O,0,GDB MedChem
102772,COC(=O)NC1=C(C)C(OC)C=C1,1,GDB MedChem
397603,C#CC(CC[NH3+])CC1CC(C)CC1(C)CC#N,0,GDB MedChem
236108,O=C1NCCNC2C[NH2+]CCCNC12,0,GDB MedChem
358346,C#CC(O)C1CC2CCC1C2,1,GDB MedChem
178153,CC#CC(=NO)C1(C[NH2+]C)C=CCN1,0,GDB MedChem
117235,C[NH2+]CC1(O)C(=O)C(O)CC1N(C)C,0,GDB MedChem
93912,CC(CC(C(C)C)C(C)C)OC(C)(C)C,1,GDB MedChem
123086,C#CCCC(=O)CC1C2CC2[NH+]2CCCC12,0,GDB MedChem
241949,N#CC1=CC2(C=CC=CC=C2CO)CC1,0,GDB MedChem
52868,C#CCCC1CC2CCC[NH2+]C12CCO,0,GDB MedChem
68995,OCC1C=C2CNC2C[NH2+]CC1,0,GDB MedChem
129947,C=CCCS(=O)(=O)C(=O)NCC#CC,1,GDB MedChem
145433,CCCC1CCCCC(C(C)O)C1O,1,GDB MedChem
32964,CCC1NC(C#N)C1COC(=O)NC=O,1,GDB MedChem
362552,CCC1=C(C(C)[NH2+]C)C2CCC1C2=O,0,GDB MedChem
84108,CC1(CC#N)CC2=C(CCC2)C1,1,GDB MedChem
385515,CC1=C(C)C(C[NH3+])=CCCC2(CC1)CC2,0,GDB MedChem
349019,CC1=CC2C([NH2+]CCC#N)CC2(C)OC1,0,GDB MedChem
339138,C#CC1CC2C(C)C2C[NH+]1CC,0,GDB MedChem
209190,NC1=[NH+]CCCC=C2CC=CCC=C2N1,0,GDB MedChem
198150,C#CCC1[NH2+]C(C)(CC)CC(CC)C1C(C)=O,0,GDB MedChem
364148,N#CC1(N)C#CCCOCOC1=O,0,GDB MedChem
256806,C#CCC1CCC1(C)C([NH3+])C(C)C(C)C,0,GDB MedChem
267604,COC1C[NH+]2CCC2(CO)C(CC[NH3+])=C1C,0,GDB MedChem
368637,C#CCc1occ(C)c1C1=NCCN1,1,GDB MedChem
194675,CC#CC1=CCC(C)CC(=O)C(C)(OC)C1,0,GDB MedChem
152456,CCn1cc(CCc2ccoc2OC)cc1C,1,GDB MedChem
358796,C#Cc1c(C)ccnc1C1(C)C2CCC1CC2,0,GDB MedChem
267452,C#CC1C=C(N(CC(C)=NO)C(N)=[NH2+])CC1,0,GDB MedChem
225754,COCC1C=CC([NH3+])CN1,0,GDB MedChem
14723,CC1OC2(CN(C)CC2[NH3+])C1O,0,GDB MedChem
260510,CC1=CC(C)=C(C)C2CC1C(CC1CC1)[NH2+]2,0,GDB MedChem
220776,CN1CCC2C=CC([NH2+]2)C(C#N)C1CCO,0,GDB MedChem
143985,C#CC[NH2+]CCC1CC(C)(CC)C1,0,GDB MedChem
128145,N#CCC1CC1([NH3+])C1CCC1,0,GDB MedChem
72765,CCC(=O)C1(C)CC(=O)OCC(CC(C)C)N1,0,GDB MedChem
76298,CC1C=CCC(=O)NC(=O)C12CC[NH2+]2,0,GDB MedChem
326534,C#Cc1cc(C)c(OC)c(CCCO)c1,1,GDB MedChem
7030,CCc1nc(=[NH2+])n(CC(C)O)cc1C,0,GDB MedChem
319237,CC1=CCC(Oc2cc(C3CC3)no2)C1C,1,GDB MedChem
202254,CCC1CC(C(CC)C(C)C(C)C)[NH2+]1,0,GDB MedChem
32896,CCC(C)C(=O)C1(O)CCOCC1,1,GDB MedChem
299793,CC1C=C2C([NH3+])CC2C=CC1[NH3+],0,GDB MedChem
75969,CN1C(=O)NCC1CCC#N,1,GDB MedChem
384686,CC1(C)CC([NH3+])CCC2C(COC2C#N)[NH2+]1,0,GDB MedChem
238982,C#CC(C)(O)C1OCC1(CC)CCC,0,GDB MedChem
40625,CCC1=CC2CC(C)([NH3+])CCC1O2,0,GDB MedChem
359736,CC[NH2+]C1C=CC(C#N)C1,0,GDB MedChem
44851,C#CCCC1CC(O)C(C(N)=O)C1(C)[NH2+]CC,0,GDB MedChem
327421,CC1[NH2+]C2CCC2CC1(C)O,0,GDB MedChem
326217,CCCC1CC2(C=CC1C)CC2O,0,GDB MedChem
346648,CC1CCC1C12C=CC(C1)[NH2+]C2,0,GDB MedChem
302827,CCN(C)CS(=O)(=O)C1CCN1C(C)C,0,GDB MedChem
238929,C#CC1OCCC([NH2+]C)C(O)C1O,0,GDB MedChem
351487,CCC1(CC)CCCC(CC[NH3+])C[NH2+]1,0,GDB MedChem
253121,Cc1cc(N)cc2c1CCC(C)(C#N)CC2,1,GDB MedChem
357849,CC1=CC(C2=CC3(C)CC3[NH2+]CC2)CC1,0,GDB MedChem
220879,CC1CCC(C(N)=O)(C([NH3+])CCC#N)OC1=O,0,GDB MedChem
302992,N#CC(N)C1CCC12COCC2[NH3+],0,GDB MedChem
159095,CC1=CCC[NH+]2CCC3(C)CC3C2C=C1,0,GDB MedChem
129533,Cc1occ2c1CCCC(C)CCCC(C)N2,0,GDB MedChem
7468,C#CC1NCC(C[NH3+])=C1NC=O,0,GDB MedChem
332000,CN(C=O)c1ccc(O)nc1C#N,1,GDB MedChem
53156,CC(C)(CC#N)c1ccc(C2C[NH2+]C2)cn1,0,GDB MedChem
327135,C#CCCC(C(C)=O)C(CC)(CO)CC#N,0,GDB MedChem
326564,CCC1CC[NH+]2CCCC2(C)COC1,0,GDB MedChem
224442,C#CC1CC(C)CCC2CCC1=C2C[NH2+]C,0,GDB MedChem
258976,C#CC(O)Cc1nc(C[NH3+])cn1C=O,0,GDB MedChem
50156,N#CC1=CCC(=O)OCOC1,1,GDB MedChem
224291,CCCC1CC(CC#N)C12CC(C)=CC2O,0,GDB MedChem
234194,CC1C=CC[NH2+]CC(c2cnc[nH]2)=CC1,0,GDB MedChem
13428,CC#CC1C(O)C12C(=O)CCC[NH2+]C2C,0,GDB MedChem
245057,Cc1cc(C)c2c(c1)CC(CC(C)C)[NH+](C)C2,0,GDB MedChem
137047,CCC(C)C1C2CCC21CC,0,GDB MedChem
129621,Cc1cc2c(N)[nH]c3c(C)cccc3c-2c1C,0,GDB MedChem
341463,C#CCC1(C)CC1C(C)CO,0,GDB MedChem
123351,CC1CCC(C)([NH+](C)C)C1,1,GDB MedChem
319059,C#Cc1cn2c(C)nc(CC)c(C)c2nc1=N,0,GDB MedChem
236059,C#CC1C(C)CC2C=CCCC1(C)[NH2+]2,0,GDB MedChem
234176,CC(CO)(CO)NCC1(C)NCC1[NH3+],0,GDB MedChem
359484,CC(C)C1=CC2COC2CC1,1,GDB MedChem
280388,CC1=CC(C2OCOC23CCC3)C(=O)N1,0,GDB MedChem
45493,C#CCC1CCC(C(C)CCC)C(C)(C)C1=O,0,GDB MedChem
84687,NC1C(CC[NH3+])OC2C=CCC1([NH3+])CO2,0,GDB MedChem
51639,C[NH2+]C12CC(=O)C(=O)OC1C(=O)C(O)C2,0,GDB MedChem
154107,CC1[NH2+]C(C)C1(CC#N)CC([NH3+])C[NH3+],0,GDB MedChem
303054,C#CC1CC(OCCC)CC1C(C)(CC)CC,0,GDB MedChem
358007,CC(C)N1CCC(=O)C12C(=O)CC2C,0,GDB MedChem
314473,C#CC1OC(C[NH3+])CCOC1c1cnon1,0,GDB MedChem
226330,CCCC(C)(CCCO)C(C)C,1,GDB MedChem
364644,N#CC1OC2COC(CO)C=CC12N,0,GDB MedChem
111182,CC1=C2C[NH2+]CC3(CC3)C2OCCC1,0,GDB MedChem
237850,CC1=CC2(C)OCC(C)C[NH+](C1)C2C=NO,0,GDB MedChem
357830,CCCCCc1cn(C2(C)CC2)cc1O,1,GDB MedChem
19911,CC#CC1=CCC2[NH2+]CC2=CC=C1,0,GDB MedChem
30497,CC1=C(NCC#N)C2(CC2)NC=CC1=NO,0,GDB MedChem
241381,CCOCC1CC2(CC2N)[NH2+]CCCO1,0,GDB MedChem
206081,O=C([O-])C1C2[NH2+]CC=CC2C12CCCC2=O,0,GDB MedChem
47003,CN1CC([NH3+])CC(OC(C#N)CC2CC2)C1,0,GDB MedChem
191789,C#CCCC12CC(CCCC(C)C1C)C[NH+]2C,0,GDB MedChem
370879,CC12CCOCC1=CCC(CO)C[NH2+]2,0,GDB MedChem
201866,CCCC1NC(=O)C(C#N)C1C(=O)[O-],0,GDB MedChem
208155,CC1=CCC(C)=CC=CC(C(C)(C)[NH3+])C=C1,0,GDB MedChem
119505,OCC[NH+]1CCCC(O)CCC1,0,GDB MedChem
2861,C#Cc1c(Cl)ccc(O)c1C,1,GDB MedChem
287227,CCC(C)(C)OC1(CC)CC([NH2+]CCO)C1,0,GDB MedChem
325517,CC(C(O)CO)C1CC(O)C1,1,GDB MedChem
268889,CCOCC[NH+](C)C,1,GDB MedChem
83201,C[NH2+]C(C(=O)[O-])C1CNC(=O)C(O)CC[NH2+]C1,0,GDB MedChem
349001,C#CC1C(C(C)COC)[NH2+]CC2C[NH+]=C(N)N21,0,GDB MedChem
267536,C#CC(CCCC(C)OC)C1(C)CCCCC1,0,GDB MedChem
187305,CCN(C)C(=O)C#CC[NH2+]C,1,GDB MedChem
119362,CCC1CCC=CC2CC2(CC)[NH+]1CCO,0,GDB MedChem
309880,C1#CCC23CC=CCC2C3C[NH2+]CC1,0,GDB MedChem
89982,C=CC(=O)CNC(C)C(=O)C(N)=O,1,GDB MedChem
224122,CC(CC(=O)[O-])C1=Cc2ccoc2NCC1,0,GDB MedChem
140,C#CCN1CCOC2CC(CC)=CC21,0,GDB MedChem
354951,CCc1cc(C#N)c(Cl)cc1C(O)CC(C)[NH3+],0,GDB MedChem
109936,C[NH2+]CC1=CC=C2CC(C)C(CC1)C2=O,0,GDB MedChem
117286,CC(C)CC(C)[NH+](C)CCC1COC1,0,GDB MedChem
63751,C#CC(CC[NH3+])CNC(=O)NC(C)(C)CC[NH3+],0,GDB MedChem
211545,CCC1(CO)C[NH+](C(C)(C)C2CC2)C1,0,GDB MedChem
192385,C#CCCc1cnc(C)c(N)c1,1,GDB MedChem
171087,C#Cc1nsncc1=NCC1CC(C)C1,0,GDB MedChem
25640,C#CC1=C(C[NH2+]C)CC=C1C(=O)[O-],0,GDB MedChem
31468,CC(=O)NC(=O)N(C(C)C)C(C)C1OCCO1,1,GDB MedChem
31257,CC1NC(=O)NCCC[NH2+]CCCC1[NH3+],0,GDB MedChem
268411,CC1NC(C)(C[NH3+])COC1C(N)=O,0,GDB MedChem
103964,C[NH2+]CC1NC(=O)C2C(C)C12,0,GDB MedChem
232876,CCC(C)(CCO)C1CCCC1c1cnoc1,0,GDB MedChem
238961,N#CC12C=CC(=O)CC1OC2,0,GDB MedChem
14873,C#CCC1=CC2C(C=CC3(CC3)C2O)CC1,0,GDB MedChem
367552,C[NH+](C1CCCCC1)C1C=CCCC1(C)C,0,GDB MedChem
241898,C#CC(C)[NH+](C)C1(C)C=CCC1,0,GDB MedChem
56698,COCC1(C)COC2CN(C)C21,0,GDB MedChem
250693,CC=CC(C)=C1C=CC[NH2+]CC1C,0,GDB MedChem
24315,C#CC1CC(CC)CCC2CCCC(CO1)C2,0,GDB MedChem
139278,CC#CC1C2CCCC(C)[NH2+]C12,0,GDB MedChem
111174,CC(C)C([NH3+])CC#CCO,0,GDB MedChem
246057,C#CCN(C)CC(C[NH+](C)C)C(C)(C#N)CC,0,GDB MedChem
125215,CCC12C=CCC[NH2+]C1CC2,0,GDB MedChem
165888,C#CC1OCCC(CC)=C(C)CCC1C#N,0,GDB MedChem
45145,Cc1cnc(C)c(-c2c(CO)sc(C)c2C)c1,1,GDB MedChem
283533,[NH3+]CC1OC2C=CC(=O)NC1C2O,0,GDB MedChem
353806,CC#CC(CC)C1CC(=O)C(C)(C)O1,1,GDB MedChem
21610,CC(C)(C)C(=O)n1cncn1,0,GDB MedChem
90713,C=C1C(=O)CC=CCCC(C)=C1C,0,GDB MedChem
41739,CC1OC(=O)OCC=CCC([NH3+])C1O,0,GDB MedChem
373344,C#CC1CCN2C=C(C=NO)C(=O)OCC12,0,GDB MedChem
245204,C#CC1CCC[NH2+]CCC(C)C1=C,0,GDB MedChem
220546,CCC1CC(N)(C[NH3+])C(C)=CC1[NH+](C)C,0,GDB MedChem
178602,CCCCCCCCc1cc(C)oc1CCC,1,GDB MedChem
2481,CC(C)OCC(C)([NH3+])C1C=C(C[NH3+])CCC1,0,GDB MedChem
340013,C#CC(C)CC12C[NH+](C)C(CCNC1=O)C2C,0,GDB MedChem
171912,CC(C)COC(C)C1CC(C[NH3+])(C(C)O)O1,0,GDB MedChem
226715,C#CC1CC(O)C2CC12CC,0,GDB MedChem
109000,C#CC(C(N)=O)C1(C[NH3+])CC1,0,GDB MedChem
59104,CCCC1C(C)[NH2+]C2COC1C2,0,GDB MedChem
158137,CCC12C=CC=CC[NH2+]CC=C1CC2,0,GDB MedChem
253123,CCC1C=CCC1O,1,GDB MedChem
352287,CCCOC(C)(C)C(O)(C(C)=O)C1CCC1,1,GDB MedChem
104581,C#CC[NH2+]C1(C)C(=O)CCC1c1cccnc1,0,GDB MedChem
90695,CC1=C(C#N)CN=C(N)N(C)CC1=O,0,GDB MedChem
353447,C#CCC(C)C1(C(C)(O)C(N)C(C)[NH3+])CC1,0,GDB MedChem
319722,CC1NC2CC(O)CC(=O)C1NCCC2=O,0,GDB MedChem
385511,C=C1CN(C2CC2O)C(=N)N1C=O,0,GDB MedChem
150840,CC1C(=O)C=CC1=O,1,GDB MedChem
354895,COCC1=CCC(O)CC1C(C)[NH3+],0,GDB MedChem
271928,C[NH2+]C1C=C(C[NH3+])C(N)C2(C=CC[NH2+]2)C1,0,GDB MedChem
195033,C#CC(C)([NH2+]C)C(C)OCCO,0,GDB MedChem
7614,CC1=CCC2=CCCCC(C)=C2C1=O,0,GDB MedChem
239494,CC(C)([NH3+])C1CCCOCC1,1,GDB MedChem
161547,C=C(CC)C[NH+]1CC2CC2(OC)C1,0,GDB MedChem
151479,CC(=O)C(=O)C1(Oc2cc(N)oc2N)CC1,0,GDB MedChem
46981,CN1CC#CC2CC(C)(CO2)CC1C[NH3+],0,GDB MedChem
35616,CCOC12C#CC=CCC=C(C1)C(=O)O2,0,GDB MedChem
164834,CCS(=O)(=O)C(C)C1=CCC2(C)CC12,0,GDB MedChem
18429,CC#CC1C(=O)CC(CC)C=C1CC,0,GDB MedChem
229901,COc1cc(=NCC#CC#N)onc1CO,0,GDB MedChem
176334,CC1NC(=O)C2C[NH2+]C2C1=O,0,GDB MedChem
481,CC1CS(=O)(=O)C2COCCC=C1C2,0,GDB MedChem
83715,C#Cc1c(CC)c(F)cc2c1CCCCC2O,1,GDB MedChem
172226,CC12C[NH2+]C1COCOC2=O,1,GDB MedChem
292598,C[NH2+]CC(C#N)CC#CC[NH3+],0,GDB MedChem
198886,CC1(C)C#CCC([NH3+])C=CC=C1C[NH3+],0,GDB MedChem
9049,O=C1CCCC=C1c1ccc[nH]1,1,GDB MedChem
23150,CCC1C(C)C([NH3+])C12CCC=C2C(C)(C)O,0,GDB MedChem
264524,CC1C=C2CC=CC2([NH3+])C1C#N,0,GDB MedChem
280940,CCC(C)(CC)C(C)C1CC2COCC1(C)C2,0,GDB MedChem
233670,CC1(C(=O)CO)C(=O)OCC=C1C#N,0,GDB MedChem
56761,CC#CCCNc1c[nH]c(N)c1,1,GDB MedChem
213520,[NH3+]C1CCNC2c3nc(O)cnc3OC2C1,0,GDB MedChem
364084,COc1scc2c1CC(C)=CC(C)O2,1,GDB MedChem
31219,CC1CCC2CC[NH+](CCO)CCC1(O)C2O,0,GDB MedChem
358045,COC1(C)C(C([NH3+])C(O)C(C)C)=CCC1[NH3+],0,GDB MedChem
306563,C=C1CC2(C)C(C)C(CC)C1[NH+]2C,0,GDB MedChem
117253,CNC1C[NH2+]CCCC1=NO,0,GDB MedChem
144067,C#CC1C2CC(C[NH3+])[NH2+]CCC12O,0,GDB MedChem
314379,CCC1(C(=O)OC(C)C)CC1,1,GDB MedChem
187417,C#CC(=C)CC1CC2C=CC13CC23,0,GDB MedChem
39166,C#Cc1c(CC)ncc2c1CC(C)C2,1,GDB MedChem
242490,CCC1OCOCCC2[NH2+]CC21CC,0,GDB MedChem
153842,C#Cc1c[nH]c(CCC)c1N(C)CC[NH2+]CC,0,GDB MedChem
182730,CC1=CC(C)([NH3+])C2=CC=CC(C)C12,0,GDB MedChem
256768,CC1=CC2(C)C(C)=CCC=C3C(C)[NH2+]C1C32,0,GDB MedChem
242445,C=C1CC([NH2+]C)(C(=C)C)C1COC,0,GDB MedChem
287557,CC1C(O)C[NH2+]C1(C)CO,0,GDB MedChem
19090,CC1=CC(N)C2(NC=O)CC[NH+](C1)C2,0,GDB MedChem
183811,[NH3+]C1C2=CCCOCC=CC1NCC2,0,GDB MedChem
280147,CC1=C2CC([NH3+])CCC(O)C2C=C1,0,GDB MedChem
76179,C#CC1C(C)=CC([NH3+])CC1[NH3+],0,GDB MedChem
31697,CC#CC(=O)C1=CCc2sccc2C1,1,GDB MedChem
56366,CC[NH2+]CC1CCC2COC(C)C(N1)C2(C)C,0,GDB MedChem
175431,C#CCCCc1ccc(CC)c2c(C)occ12,1,GDB MedChem
142697,CC[NH2+]CC=CC(O)C1(O)C[NH2+]C1,0,GDB MedChem
233672,CCC(=O)C1=CCC2C([NH2+]C)COC12C,0,GDB MedChem
230950,COC1C=CC(C(F)(F)F)=C(C)CC[NH2+]C1,0,GDB MedChem
169253,CCc1cc(CC)c(-c2cc[nH]c2)c(O)c1C,1,GDB MedChem
55486,CC1(O)CC=C2CC3CC3C=C2C([NH3+])C1,0,GDB MedChem
53508,CCc1ccoc1C1(O)CC1,1,GDB MedChem
270710,CC1=C(CCO)CC(O)(C2CC2)COC1,0,GDB MedChem
80911,CC1COC1C1=CC2CC[NH+](C1)C2C,0,GDB MedChem
15174,CC([NH3+])C1(O)CCC=C1Cc1ccoc1,0,GDB MedChem
18509,CCC(O)CC([NH2+]CCO)C(=O)CO,0,GDB MedChem
184588,CC(C)C1CC(CC(=O)C=NO)CC(=O)N1,0,GDB MedChem
93946,C#CC1CC(C[NH3+])C(OC)(C2C[NH2+]C2)C1[NH3+],0,GDB MedChem
52872,[NH3+]CC1CC2([NH3+])CN(C=O)CC([NH3+])CC=C12,0,GDB MedChem
344035,C#CCCCC1CC(C)OC(C)(C([NH3+])CC)C1,0,GDB MedChem
358050,Cc1ccc(C(N)=[NH2+])c(F)c1NCCC(C)C,0,GDB MedChem
112737,C[NH2+]CC1=C(C2CC[NH2+]2)CCC=CC1,0,GDB MedChem
114187,CC(C)C1C[NH+](C2CCC2C)C1,0,GDB MedChem
370890,C[NH2+]C1CC=C(CC[NH3+])CCC=C1C,0,GDB MedChem
132960,CC1(C)CCOC(c2ccc(N)o2)C1,0,GDB MedChem
352455,C#CCC1C(C)=CC([NH3+])C2CC12,0,GDB MedChem
144893,CC1=CCCC2(CC2)C(C)C1[NH3+],0,GDB MedChem
263712,CC#CC(C)C(C)CC1C(=NO)C=CC1(C)C,0,GDB MedChem
357937,C=C1C(=O)C(O)C(O)C(O)C1C#N,0,GDB MedChem
164070,CCCC(C)(O)CC1(CC)CC1,1,GDB MedChem
376819,[NH3+]CC1=CCC(O)CCC1,0,GDB MedChem
97365,CN1C(=O)C([NH3+])CCC12C(N)C2[NH3+],0,GDB MedChem
339457,C#CC(CC)CC1(CC(CO)CO)CC1,0,GDB MedChem
127538,CCC1C=CC(C#N)=C(C)CO1,0,GDB MedChem
63208,C#CC1=CNC2(CCC2)C1=O,0,GDB MedChem
364451,CCc1scnc(=O)c1Cc1ccsc1,0,GDB MedChem
151473,CCC[NH2+]CC1CCN2CS(=O)(=O)CC12,0,GDB MedChem
124402,CC1C[NH2+]CCC[NH+]1C1CC1,0,GDB MedChem
127435,CC1(CO)C=CC[NH2+]CCN1,0,GDB MedChem
219845,C=C1CC(C=C(C)C=CCCO)C1,0,GDB MedChem
192414,CCCCC1COC(C)CO1,1,GDB MedChem
35613,C=C(C)Cn1c(=[NH+]C)nc[nH]c1=N,0,GDB MedChem
278695,Cc1cccc2c1C(CO)C(O)(C[NH3+])C([NH3+])C2,0,GDB MedChem
96128,N#CC1CC(=O)C(=O)C2CC3=CCCC3C12,0,GDB MedChem
255773,N#CC1CC(n2cnnc2)C2(CCC(=O)C2)N1,0,GDB MedChem
194318,CC(C)C1C=CC(C)(CO)CC1,1,GDB MedChem
294849,CCC(C)(C)c1c2c(cc3c1C[NH2+]C3)CCC2,0,GDB MedChem
335428,O=C1OCCC1OC1CCC1,1,GDB MedChem
168879,CC(C(O)CO)C1C=CCC1,1,GDB MedChem
47325,COC(C)C(C)([NH3+])C12CCCC1C[NH2+]2,0,GDB MedChem
332300,N#CC1NCC2C(=O)OCC1C2C[NH3+],0,GDB MedChem
264772,CC(=O)C(CO)OC1C[NH2+]C1,0,GDB MedChem
15092,COCCN(C)C(=O)C(C)(C)C1CCCC1C,1,GDB MedChem
22891,O=C1C2=CCCC(O)C2=CC1NCCO,1,GDB MedChem
335392,O=C1C=CC2(CC2O)C1O,0,GDB MedChem
206083,CC1=CC2(CC2)C(C#N)=C(C)C=C1C[NH3+],0,GDB MedChem
46487,[NH3+]CC1=C2CCC=C2C=CCC(CO)=C1,0,GDB MedChem
4527,CC(O)C1(C)C([NH3+])CCN1CC#N,0,GDB MedChem
122612,C[NH2+]CC1=CC2CC1C(C)=C2C,0,GDB MedChem
106295,CC1CC(C2(CO)CC2[NH3+])OC(=O)N1C,0,GDB MedChem
330858,CC[NH+]1C2CC(=O)C1(C)CC2C,0,GDB MedChem
89630,C#CC12CC1C(C)C(C(C)C)O2,1,GDB MedChem
227167,C=C1C(CC(C)=O)=CC[NH2+]C2CC12,0,GDB MedChem
124627,OC1C=CCCC23CC2C=CC13,1,GDB MedChem
149527,[NH3+]CCOC1C=CC2(CC2)O1,0,GDB MedChem
5156,CC1CN(C=O)C2=C1NC(=O)C2C,0,GDB MedChem
219013,Cc1cc(CC[NH3+])cc(C2CCCC(C)[NH2+]2)n1,0,GDB MedChem
226483,CCC#CC1C(O)CC1(C)OCC[NH3+],0,GDB MedChem
369008,CC1([NH2+]CCN)C=CCOCC1,0,GDB MedChem
295804,CC1OC2CC(O1)C(=O)C2=O,1,GDB MedChem
258958,C#CCc1c(C(C)C)ccn1C,1,GDB MedChem
390314,CCC1(C)C(O)C1C(C)CO,1,GDB MedChem
276940,CCC1C(C)=CC([NH3+])CC1(C)C,0,GDB MedChem
241889,CC(C)(O)CC1OC2CC[NH2+]C(CO)C=C21,0,GDB MedChem
81322,CC1=CC(C)C(=O)C[NH2+]C1,0,GDB MedChem
36079,CCC1C2CCOC12C1=CCCC1[NH3+],0,GDB MedChem
393463,C#CC1CC(C)(CCC2CC=CC2)[NH2+]1,0,GDB MedChem
389002,CC1=C(C(=O)C#N)CCC(C)[NH2+]C1C,0,GDB MedChem
155930,CCC1=CC2CC=C3C(=NO)C=CC3[NH2+]C2C1,0,GDB MedChem
366663,CC(O)C[NH2+]C(C)C1NCC1(N)C[NH3+],0,GDB MedChem
36678,CC=CCC([NH3+])C#Cc1ccsc1,0,GDB MedChem
164892,CC(C)(C)C[NH2+]CC(C)(C)O,0,GDB MedChem
330711,CCC1COC(C)C(C)CO1,1,GDB MedChem
368708,NS(=O)(=O)C1CC2=CCCC21C#CC[NH3+],0,GDB MedChem
287228,CCCC(C[NH3+])(CO)NC(CC)C(F)(F)F,0,GDB MedChem
4512,CC#Cc1cccnc1OC(=O)CN,1,GDB MedChem
113931,CCn1cnc(C)c1CC[NH3+],0,GDB MedChem
41237,CC1(C)C(C#N)C1C1OCCC1O,1,GDB MedChem
262999,CCCC12CCC1C(O)CC(C)[NH+]2C,0,GDB MedChem
69783,CCN1CC(CO)([NH+]2CCC2)C1,0,GDB MedChem
176324,CC1C=C2CCCCC2[NH2+]C(C)C(C)C1,0,GDB MedChem
272105,CC1=CC=CC(C)=C(CC(C)O)CC1,0,GDB MedChem
123322,C#CC(CCCC)c1cc(F)c(C)c(C)c1C,1,GDB MedChem
119512,C=C1C=CC2(CCC2)CCC(O)C1,1,GDB MedChem
117834,COC(C[NH3+])C1C[NH2+]CC2CCCC([NH3+])(C2)C1,0,GDB MedChem
55820,CCc1[nH]cc(C)c1CCC[NH+]1CCC1,0,GDB MedChem
370905,CC1CNC(=O)C(C(=O)[O-])[NH2+]C1C,0,GDB MedChem
14307,CCC1COC2C[NH+]1CC21CCOC(C)CC1,0,GDB MedChem
47273,CCCC1CC2=CC3CCC(C(=NO)C21)[NH+]3C,0,GDB MedChem
179575,C[NH2+]CCC(O)C1NC=CC1=O,0,GDB MedChem
205013,C[NH2+]CC1CCC2OCC(CC(C)O)=C2C1,0,GDB MedChem
143218,C=CCOCC(=O)NCC(=O)C#N,1,GDB MedChem
229578,OCC1=CCC(C2CCC3=C2NCC3=NO)C1,0,GDB MedChem
14668,C#CC([NH3+])CCC(C)Cc1cnoc(=N)n1,0,GDB MedChem
306668,CC1(C)CCCC(CO)=CC1CC[NH3+],0,GDB MedChem
218638,CCC1C(c2ccsc2)C1([NH3+])CCC[NH3+],0,GDB MedChem
360085,CC1CCC2(C)CC#CCCC[NH2+]C2C1,0,GDB MedChem
115808,CCCC1=CC(C)C2=CCCC2OC1,0,GDB MedChem
297161,NC(=O)NC1(C[NH3+])CC1C1CC1O,0,GDB MedChem
285400,C#Cc1cc(NC)[nH+]c(N)c1C,0,GDB MedChem
296722,COC1CCC(O)C1,1,GDB MedChem
365460,CC#CCc1ccc(CC(=O)C#N)cn1,1,GDB MedChem
32261,CC1CC12COC(OC(=O)C#N)C2[NH3+],0,GDB MedChem
255723,C#CC1CC1C(C#N)N(C)C,1,GDB MedChem
143022,CCC12CCC[NH2+]C1C=CC2=O,0,GDB MedChem
216831,CCC1=C2C(CC3(C)CC23)C(C[NH3+])CC1,0,GDB MedChem
117837,CCCC1CC2CCC[NH+]12,0,GDB MedChem
45211,CC1=CC2C(C)C(O)(C#CC(C)(C)O)C2C1,0,GDB MedChem
63532,C#CC[NH+](C)CCC(C)[NH3+],0,GDB MedChem
261946,N#CC=CC(O)C(C(=O)[O-])C1CC1,1,GDB MedChem
239031,CC1OC(=O)N(C2CC2)C1=O,1,GDB MedChem
125487,CC([NH3+])C1C=CCC2C(=O)OC2C1,0,GDB MedChem
151510,CCOC1C2CNC1(C)C[NH2+]2,0,GDB MedChem
168701,CC1=C2CC=CC2CC2(C)C(O)C2C1,0,GDB MedChem
211725,CC1(CC#N)C([NH3+])CC2CCC[NH2+]CC21,0,GDB MedChem
69798,CCc1c(CC(C)C)coc2cc(C)c(C)c1-2,0,GDB MedChem
44858,CCN(C(C)=O)c1nc(C)n(CC)n1,1,GDB MedChem
313860,CCC1C(C2CC2)C(C)C1(O)C(C)C,1,GDB MedChem
123891,CC(=O)NC(CC[NH3+])C1(N)C[NH2+]C1,0,GDB MedChem
238999,N#CC1(C[NH3+])CC=C2CC=CCCC21,0,GDB MedChem
368922,CC1[NH+]=C2NC=CN2C=CC2C[NH2+]CC21,0,GDB MedChem
10804,NC(=O)NC1C=CCC(O)C([NH3+])C1CO,0,GDB MedChem
200631,CC#CC=C1CC2(C)CC=CC1C2,0,GDB MedChem
372946,CCC[NH2+]CC1=CC[NH2+]C12CC2,0,GDB MedChem
257328,CC#CC1(O)COC2C=C1C=CCCO2,0,GDB MedChem
52333,CCC1=CC(C(C)[NH3+])C2COCOC2C1,0,GDB MedChem
56154,CC1=CC2([NH3+])C=CCC=CC=CC=C1C2,0,GDB MedChem
330822,CC1(C#N)C[NH2+]CC1=C1C[NH2+]C1,0,GDB MedChem
391250,COCC1CCCC(C(C)=O)NS(=O)(=O)C1,0,GDB MedChem
73592,CCC(=O)CC1C=CC23CCOCC2C13,0,GDB MedChem
249798,O=c1cc([O-])sc(-c2ccsc2)c1,0,GDB MedChem
112710,CC1C=CC(=O)CN1CCO,1,GDB MedChem
216782,Cc1[nH]cc2cccc(Cl)c12,1,GDB MedChem
251595,CC[NH2+]C(C)(C)C1CCCC(C)([NH3+])C(CO)C1,0,GDB MedChem
287063,[NH3+]C1CCCC(C(=O)[O-])CC1,1,GDB MedChem
13578,CC1CC2=CCCC3(C#CCC1C2=O)CC3,0,GDB MedChem
321316,CC1C=C2CCCC2=CCO1,1,GDB MedChem
205667,C=CC(CCC)C1CC2=CC[NH2+]C21,0,GDB MedChem
178580,C#CC(N)C1C([NH3+])CC(C)N1C,0,GDB MedChem
362405,O=C1NCC(C2CCCC2)N1CCCO,1,GDB MedChem
244218,CC1(C)CC[NH+](CC#Cc2cnc(N)o2)C1,0,GDB MedChem
213503,CCN=c1cccnn1C(C)C,1,GDB MedChem
56161,C=CC=CC1CC(C(C)CCC)C1,1,GDB MedChem
201945,CC1(C(N)(C[NH3+])CC[NH3+])COCO1,0,GDB MedChem
370893,NC1=C(C2COC3CC3C2)C(=O)CNCC1,0,GDB MedChem
191228,C#CCCC1(C)OC(C)C1C,1,GDB MedChem
279490,C#CC1CN(C)C(=O)NCc2ccc(Cl)cc21,0,GDB MedChem
275258,CC1C[NH2+]C2C(N(C)C)C2C1(C)C,0,GDB MedChem
179526,CC([NH3+])C1C2=C(CC=CC(O)C2)CC1(C)O,0,GDB MedChem
125402,CC1[NH2+]CC(=O)[C-]1C(=O)CC[NH+](C)C,0,GDB MedChem
292622,C#CCC1CC2=CC1=CC=CCC=C(C)C2,0,GDB MedChem
2846,COC1C(OCC(C)O)C12CCC[NH2+]2,0,GDB MedChem
303169,CCOc1cc([O-])c(C[NH3+])o1,0,GDB MedChem
130499,CC1CN(C)CC(=O)C2(CCN2C)C[NH2+]1,0,GDB MedChem
339911,CC1[NH2+]CC2(C#N)C(C3=CCCC3=O)C12,0,GDB MedChem
251618,CCC1([NH2+]CC(O)C#N)CC=C2COCC21,0,GDB MedChem
205544,C#CC1=CC2OCC=C2C(C)(C)C(C)=C1,0,GDB MedChem
62861,CC1CCC(C)C[NH2+]CC(C)NCCC[NH2+]C1,0,GDB MedChem
110870,C#Cc1nc(C)cc(CC(C)=O)c1CCCC,1,GDB MedChem
93608,CC1CC2C(CC(C)(C)C2CO)O1,0,GDB MedChem
40111,C#CC1CCCC(C)(C)Cc2c(C)cncc21,0,GDB MedChem
353451,NC1(C[NH3+])C([NH3+])C2OCCCC21,0,GDB MedChem
35239,O=C1OCC=CCC=CC12CC2,1,GDB MedChem
139354,N#CCC1(CO)OCC1[NH3+],0,GDB MedChem
268763,CCCC1(c2cccs2)CCC1,1,GDB MedChem
279507,C#Cc1nc(CC[NH3+])ccc1-c1cscc1C,0,GDB MedChem
331988,CC(C)OC1C(=O)CNC1(C)CO,0,GDB MedChem
88969,COCC1N2CCC(C2C[NH3+])C1(C)C,0,GDB MedChem
124736,CC(C)N1CC2=CC=C(C[NH3+])C21C,0,GDB MedChem
66878,[O-]c1[nH]c(O)nc1CC#CC1CCCO1,0,GDB MedChem
187807,CC(C(=O)[O-])C1(O)CCCC1,1,GDB MedChem
103557,CC#CC(c1cocn1)C1CCCCC1,1,GDB MedChem
9146,CC1=C(C2=CCCC2)C2C=CC([NH2+]2)C1N,0,GDB MedChem
149016,C#CC1([NH2+]C2CC2)C(=NO)C(C)C(CC)C1C,0,GDB MedChem
358376,CCC1=CCC(C)=CC2(C=CCC1)CC2,0,GDB MedChem
29304,CC(CCCO)N(C=O)c1ccno1,1,GDB MedChem
81277,CC(C)CC1OCCC2(C)C(C)CC12,0,GDB MedChem
160528,C#CC1(C(N)=O)COCO1,1,GDB MedChem
46972,CC1=CCC=C(C)CC(C)(C)C#C1,1,GDB MedChem
9346,C#CCC1(C[NH2+]C)C[NH2+]CC(C[NH3+])CC(C)C1,0,GDB MedChem
224372,C#CCOCC1C([NH3+])CCN1C,0,GDB MedChem
309900,CC([NH3+])(C(=O)NCC[NH3+])C1CC1,0,GDB MedChem
320365,CC1(C)C[NH+]2CC(CO)C(C2)OC1=O,0,GDB MedChem
164926,CNC(=[NH2+])NC1C=CC2CC(C)(C1)OC2C,0,GDB MedChem
105804,C[NH2+]Cc1cc(CO)sc1C,0,GDB MedChem
152434,C#CC1NCCN(C)C(=O)C1[NH3+],0,GDB MedChem
110164,CC1=CC=CC1=C(C)C#CC(C)O,0,GDB MedChem
313947,CC12CCC1CC=CC(=O)C2=O,0,GDB MedChem
279541,C#CC1C[NH2+]C(CCCC2(CC)CCCC2)C1,0,GDB MedChem
322637,C#CC1(C(C)OC2CCOC2)CCCCCC1,0,GDB MedChem
129986,C1=CCc2[nH]cc(CC3CCCC3)c2NC1,0,GDB MedChem
171977,CC([NH3+])C(CO)OC1CCN(C=O)C1,1,GDB MedChem
56692,CC[NH2+]CC#CC(=CCCO)C[NH3+],0,GDB MedChem
211855,CC1=CC(=O)NCC2CC2(O)C=C1C,1,GDB MedChem
165457,O=C1CCCC(CC(F)(F)F)CCN1,1,GDB MedChem
59099,C#CC(C)OC1COC1C(=O)NC(N)=[NH2+],0,GDB MedChem
253110,C#CC1C(C)=C(C(N)=O)CCC1(C)C,0,GDB MedChem
263623,C[NH2+]CC(=NO)C1=CC=CC(C)C2(O)CC12,0,GDB MedChem
81316,C#CCCC1=C2CC=CCC2C(=O)C2CC12,0,GDB MedChem
360933,CC(C[NH+]1CCCC1)c1cnn[nH]1,0,GDB MedChem
332808,CC1CCC(=O)C(C)(CO)C(C#N)N1,1,GDB MedChem
138086,CC1[NH2+]CCC(O)C2CCC1(OC(=O)C#N)C2,0,GDB MedChem
56738,CC(=O)c1cccc(C(C)CO)c1C,1,GDB MedChem
354926,C#CC(OCCC(C)=CC)C1CC1,1,GDB MedChem
51767,C#CC([NH3+])(CC)C1C(N)C1(C)[NH3+],0,GDB MedChem
224923,CC1(C)CN2CC(=O)C1C2,1,GDB MedChem
165032,C#CC1OC(C)CC1C(=C)C(=C)C,0,GDB MedChem
10880,COC1CN(C)CCC(CC#N)C1=O,1,GDB MedChem
47964,C[NH2+]C(CN)C1C(=O)NC1C,0,GDB MedChem
343172,CC12C=CC=CCN1C(=O)C=CC2=NO,0,GDB MedChem
113420,C#CC(C)CC1CC(C[NH3+])=CC(C)O1,0,GDB MedChem
129655,CC(=O)C1CCC(C)C=C2CCC=C21,0,GDB MedChem
35244,C[NH2+]C1CC=C(C#N)C(C)[NH2+]CCCNC1,0,GDB MedChem
103551,C#CC1C(C)C=C2CC(=O)NC21,0,GDB MedChem
219215,OC1CCC1CC1=CC=CC[NH2+]C1,0,GDB MedChem
347157,CCCCOC1C(C[NH3+])CCC2CC21CC,0,GDB MedChem
94571,C[NH+]1CCC(O)C2CC(C[NH3+])C21CO,0,GDB MedChem
301019,C=C1CC(C[NH+]2CC=CC2)C1OC,0,GDB MedChem
204107,C#CC1C(=O)C[NH2+]C(C)C(C)CC1C(=O)CO,0,GDB MedChem
231251,CCCCCCC(C)(C)c1ncc(C)cc1N,0,GDB MedChem
194852,CC12C=C3CCC=C3CC[NH2+]CC1C2,0,GDB MedChem
68596,CC(O)C1C2COC1CO2,1,GDB MedChem
62684,CC1(C)CCC=C1C(=O)C1CCCC1,1,GDB MedChem
53404,CCC[NH2+]CCC1=CC(C[NH3+])S(=O)(=O)N1,0,GDB MedChem
127420,OCC12C=CC(O)CC(O)CCC1CC2,0,GDB MedChem
128393,CC1=CC2=C(S(C)(=O)=O)CC(=O)N2C1C,0,GDB MedChem
100522,C#CC1NCC2CCCOCC1(C[NH2+]C)N2,0,GDB MedChem
198481,CCc1nc(C2(CC)CC2)sc1CC,1,GDB MedChem
169979,C=CC1CC2C[NH2+]C2CC(=C)C1C,0,GDB MedChem
137495,C#CCC1CN(C)C(=O)NC(=O)N1,1,GDB MedChem
136381,CCC([NH3+])C([NH2+]C)C(C)Cn1cncc1CO,0,GDB MedChem
227190,Cc1cc(C2CCC[NH2+]CC2(C)C(C)C)co1,0,GDB MedChem
165521,O=C1C=CC(COCCC2CC2)CC1,1,GDB MedChem
395837,C#CCC1CC(C)CC[NH+](C(C)C)C(C)(C)C1,0,GDB MedChem
314277,N#CC1=CC(CCO)C2C=C3CCC=C3C12,0,GDB MedChem
262713,C#CC1(C[NH3+])CC(C(C)CCC)[NH2+]CCC1O,0,GDB MedChem
313954,Cc1cc2c(O)c(c1)C(O)CCCC(C)CC2,1,GDB MedChem
204066,CC1=CC2(C)C(C)=CC(C#N)OC2C1,0,GDB MedChem
275266,C#CCCC(C)CC1([NH3+])CC1,0,GDB MedChem
158109,N#CC1=CC(O)CC2CC12,1,GDB MedChem
295116,CC(C)Cc1cc(CC2C[NH2+]C2)c(N)o1,0,GDB MedChem
109293,CC#CCC(=NO)C1=C(C)CC2(CCO2)C1,0,GDB MedChem
57588,CC1=CCC([NH3+])CC(O)C=CC2(C1)CC2C,0,GDB MedChem
329909,C=CN1C(=O)C=C(C)C2OC(C)C21,0,GDB MedChem
35237,C=CN1C(=CC)C2CCC(C2)S1(=O)=O,0,GDB MedChem
118268,CCOCC1=C2CCC(CO)=C2N(C=O)C1,0,GDB MedChem
232915,CCC12CCC1CC([NH2+]C)C2,0,GDB MedChem
83716,C#Cc1[nH]c(CC)c(C([NH3+])CC)c1CC,0,GDB MedChem
240915,CC(C)C1(C#N)CC(C(=O)[O-])N1C=O,0,GDB MedChem
96619,C#CCC(CN(C)c1ncoc1N)[NH+](C)C,0,GDB MedChem
384915,CC1COC(=O)CC1C[NH3+],0,GDB MedChem
254764,C#CC(CC#N)Cc1csc(=N)c(C(C)C)n1,0,GDB MedChem
111801,CCC(OC)c1cc(OC)ncc1C(C)(C)O,1,GDB MedChem
255702,CC(C)OC12CC[NH2+]C1C(C)COC2=O,0,GDB MedChem
176017,CCC1=CC=CCOCOCC1(C)O,0,GDB MedChem
292356,CCC(C)(C)C1[NH2+]CC(NC=O)C1(C)C(C)C,0,GDB MedChem
270653,Cc1cc(C)c(F)c(C2CCCC2C(C)C)c1,1,GDB MedChem
14442,O=CS(=O)(=O)C1CCCC2=C1C(O)C(=O)C2,0,GDB MedChem
175148,Cc1nnc(C)n1CCC(C)(C)C[NH3+],1,GDB MedChem
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69302,COCC(O)C(C)C(N)C#N,1,GDB MedChem
124615,CC(=Cn1ccnc1C)N(C)C=O,0,GDB MedChem
71009,O=C1C#CC(O)C=CC=CC1,1,GDB MedChem
186329,NC(N)=[NH+]C1CC2[NH2+]CCCC(=O)CC12,0,GDB MedChem
123887,CC1(C2CCC(O)C2)COCC1[NH3+],0,GDB MedChem
120170,CC1CC(O)C(C(O)CC#N)O1,1,GDB MedChem
68817,N#CCC#CC1CC1[NH3+],0,GDB MedChem
253815,C#CCC1(O)CC2C(CC)C21,1,GDB MedChem
132027,COCC1CC(C(C)CC2(C)CC2)C1,0,GDB MedChem
140488,C#CCC1([NH3+])C2CCC[NH+](C2)CC1CC(C)C,0,GDB MedChem
107333,C#CC1CC(C#N)C(C(C)C)C(C)(C)CC1C,0,GDB MedChem
218662,C[NH2+]CCC(C)CC(C[NH2+]C)C1CCC(C)C1,0,GDB MedChem
236883,CC1OC2CC2C(C)NC1=O,1,GDB MedChem
267518,CC1C=C2CC3CC[NH2+]C3CC(N)C[NH+]1C2,0,GDB MedChem
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117041,CC1CNC(=O)CCCOC1C(N)=O,0,GDB MedChem
238278,O=C1C=CCC(=O)C(C#CC2CC2)C1,0,GDB MedChem
9284,OCC1=CCC=C2CCC2CC=CCC1,0,GDB MedChem
9511,CCC1OC(C[NH3+])CC=CC1O,0,GDB MedChem
9337,CCC(C)C1=CC2C([NH3+])CC2C1,0,GDB MedChem
278716,Cc1cc(-c2ccc(CC(C)C)s2)n(C)c1C,1,GDB MedChem
310558,C#CCC[NH2+]C1CN(C(C)C)C1,0,GDB MedChem
228251,CC12C=CC=CCC1COC1CC12,0,GDB MedChem
71831,CC1=CC#CCC=C(C)C2(CC=CC2=O)C1,0,GDB MedChem
68531,C#CCC1CC2(OC)C(C[NH3+])CCC2[NH2+]1,0,GDB MedChem
104577,CCC1C=CC2[NH2+]CC(C)C12,0,GDB MedChem
10088,CC1(C(N)(C[NH3+])C[NH3+])CC(C[NH3+])O1,0,GDB MedChem
136892,CC([NH3+])C1(C)CC(C[NH3+])C1O,0,GDB MedChem
117803,CN1C=CC2CC(C(=O)NC2C[NH3+])C1=O,0,GDB MedChem
86791,CCC12CC=C(C)C#CC(C)C(CC1)C2,0,GDB MedChem
357771,[NH3+]C1CC2(CNC(=O)CC(CO)OC2)C1,0,GDB MedChem
118283,O=c1cnoc(-c2cccc(Cl)c2)n1,0,GDB MedChem
89608,CC1CC(C[NH3+])C(C[NH3+])O1,0,GDB MedChem
50197,CCC1CC1(C)C1CC1,1,GDB MedChem
542,[NH3+]CC1CC=CC([NH3+])CC2CC2C(=O)O1,0,GDB MedChem
312623,C#CC1([NH3+])C=CCCC2CC(C)=C1C2C,0,GDB MedChem
196170,C#CC(CC(CCC#N)CC(C)O)C(C)CO,0,GDB MedChem
147686,CC1COC2CCC(=O)OC2C1CC[NH3+],0,GDB MedChem
190683,CC1=CC[NH2+]C(C(CO)C(=O)[O-])CC1=O,0,GDB MedChem
55851,CC1(COCCC2CC2[NH3+])CC1O,0,GDB MedChem
137659,C#CCC(O)(CC#N)c1cnsn1,0,GDB MedChem
175448,C#CCc1[nH]cc2cc(C(C)C)nc(C#N)c12,0,GDB MedChem
195139,C[NH2+]C(C)C1CCC(CO)(C(C)C#N)N1,0,GDB MedChem
66215,CCC1CC(O)C(CCOC)C1(CC)[NH+](C)C,0,GDB MedChem
45259,C=C(c1nc(C)[nH]c1C)C1(C)CC1,1,GDB MedChem
268989,COCC(=CC#N)C12C[NH2+]CC1C2,0,GDB MedChem
121360,N#CCc1coc(-c2c[nH]cn2)n1,1,GDB MedChem
161870,CC1C[NH+](C)C2CC(=O)OCCCC(C2)C1C,0,GDB MedChem
101718,C[NH2+]C1CC(=O)C=C(N)C=C(C2CC2)C1,0,GDB MedChem
65157,C#CC1C([NH3+])C2OCOCC12C,0,GDB MedChem
332149,CC1=C(C#CC(F)(F)F)C2(CC2)CNC1=O,0,GDB MedChem
3549,C#CC1CC(C[NH2+]C)(C[NH2+]C)N1C=O,0,GDB MedChem
313970,C=CC1CC(=NO)CCC(OC)CO1,0,GDB MedChem
257889,CC1CCC2[NH2+]CC1C(=O)NC2(C)C[NH3+],0,GDB MedChem
139280,C#CC(c1n[nH]nc1C)C(C)(CCC)CC[NH3+],0,GDB MedChem
14454,CC1=CC(C)(C#N)C(=O)CCOC1,0,GDB MedChem
385519,C#CC1CCC(C)(c2cc[nH]c2O)OC1,0,GDB MedChem
336879,Cn1c(N)ccc1CC1CC1,1,GDB MedChem
282038,CC1[NH2+]C2CC1COCC2O,0,GDB MedChem
196198,CCC1C=CC2(CC(=O)NC(=O)NC2C)C1,0,GDB MedChem
17199,CCc1ncc2c(n1)CCC2,1,GDB MedChem
228976,C#CCC1C(C[NH3+])CC[NH+]1CC,0,GDB MedChem
192859,C#Cc1c(C)c(CCCC)c(C)c(CC)c1F,1,GDB MedChem
232154,NC12C[NH2+]CC(C(C[NH3+])C1)C2[NH3+],0,GDB MedChem
24202,[NH3+]CC1CC=CCOCCC1,0,GDB MedChem
123884,N#CC(CN)C12NC(CNC1=O)COCC2O,0,GDB MedChem
116890,Nc1c(O)cc2ccc(=O)sc2c1F,0,GDB MedChem
213519,N#CCCC([NH2+]C1CCC1=O)C(=O)[O-],0,GDB MedChem
195642,C=CC(C=C)=C(C(=O)NC)C(C)O,0,GDB MedChem
3579,CCC#Cc1ncc2c[nH]nc(C)c1-2,0,GDB MedChem
330853,CNc1cc(C(CO)[NH2+]C)[nH]c1C[NH3+],0,GDB MedChem
64525,C#CC(CC([NH3+])CO)(c1c[nH]c(O)n1)C(C)C,0,GDB MedChem
123543,O=C(C#CCCO)c1csc2c1CCC2,1,GDB MedChem
352014,C[NH+]=C(N)Nc1occc2c(COC)ncc1-2,0,GDB MedChem
232911,COC1CCC(c2oc(=NCCO)oc2N)C1,0,GDB MedChem
121157,CCC([NH3+])C1(N(C)CC)CC(CO)C1O,0,GDB MedChem
293974,COCCC(CC(C)C1CC1O)=NO,0,GDB MedChem
312483,CC1(OC2C=CCC2)COC1,1,GDB MedChem
219066,CCCC1C[NH+](CCC)CCC(C#N)(CC)C1,0,GDB MedChem
255727,NC1C(C[NH3+])NC2C[NH2+]C21,0,GDB MedChem
330882,CCC#CC1C=CCC([NH3+])C2CC2C1,0,GDB MedChem
129969,C=C(C(C)[NH3+])C(N)C1CC([NH3+])C[NH2+]1,0,GDB MedChem
240869,C#Cc1csc(CCC2(C)C[NH2+]C2)n1,0,GDB MedChem
351014,C#Cc1c(C(=O)CC)cn2c(C)cccc12,1,GDB MedChem
281744,C#Cc1nc(C2OC(C)C2=O)c(CC)n1C,0,GDB MedChem
198512,CN1C=CC2CCC(C2)NC1=[NH2+],0,GDB MedChem
85771,C=C1CC2(C)NC(=O)C2C(=C)C1C,0,GDB MedChem
115801,FC(F)(F)C12CCC1C2,0,GDB MedChem
71023,OCC1=C(CCC(F)(F)F)CCCC1O,0,GDB MedChem
53380,CCC[NH+](C)CC1=CC(=NO)C2(CC[NH2+]2)C1,0,GDB MedChem
102569,CCc1cccc(-c2nc(C)ccc2C[NH3+])c1,0,GDB MedChem
127990,CCC1=CC(C)OCC(C)=CC1,0,GDB MedChem
52476,CCc1cc2n(C)c1=CCC([NH3+])C=CC[NH+]=2,0,GDB MedChem
141441,CCC(C)C1CC2([NH2+]C)CC12,0,GDB MedChem
250295,NC(=O)C1(C[NH3+])C([NH3+])CC2CC21,0,GDB MedChem
395882,C#CC1C(C)C2=C(CC=C2)C1OC,0,GDB MedChem
327443,COC1C([NH3+])C12C=C(C(C)O)CCN2,0,GDB MedChem
33991,C[NH+]1C(C2=CCC(=O)CNC2)C=C2CCC21,0,GDB MedChem
221505,C#Cc1c(O)cc2c(c1C)CC(C(C)=O)CO2,0,GDB MedChem
362530,CCC1C=C2C3=C(CCC3[NH2+]C1)C(O)C2C,0,GDB MedChem
211839,CC1(c2cc(CO)c(N)c(F)c2N)CC1,1,GDB MedChem
348253,CC1[NH2+]CCC12CC([NH3+])C(CNC=O)N2,0,GDB MedChem
107145,CCC(C#N)CNc1cc(=O)cns1,0,GDB MedChem
66271,C=C1C=C(C)C(C[NH3+])C(=C)CC1[NH3+],0,GDB MedChem
301754,CC1CC=CCC2C=C(C3CCCO3)CC12,0,GDB MedChem
110905,C#CC(Cn1ccc(C(C)(C)C)n1)C(C)(C)C,1,GDB MedChem
112672,C=CCCCC(C=C(C)C)=CCO,0,GDB MedChem
31680,C[NH2+]C1CCCC1N(C)C(=O)CCO,0,GDB MedChem
275002,CC=C1CCC12C=C(C#N)COC2,0,GDB MedChem
33347,CC1=CC(C)CC2C=CC(=CCC2)C1,0,GDB MedChem
5969,CCC1=C(C)C2(CC1)CCC(N(C)C=O)C2,1,GDB MedChem
371639,CCC1C(C)C2CC12C(C)=O,0,GDB MedChem
272712,[NH3+]C1C=C2C[NH2+]C2C(CO)OC1,0,GDB MedChem
156894,CCC1=CCC2=CC=CC[NH+](CC1=O)C2,0,GDB MedChem
264800,C#CCc1c(C)c(C(C)C)n(CC)c1C(C)C,1,GDB MedChem
76622,CCC1CCCCC1OC1(C)CCCC1,0,GDB MedChem
71071,CC(O)CC[NH2+]CC(N)C#N,0,GDB MedChem
266982,C1[NH2+]C2CCC(C3CC3)CC1C2,0,GDB MedChem
280229,C#CC1C=CC2=C(C)C3C(=O)CC3[NH+](C)C21,0,GDB MedChem
187557,Cc1ccc(C2C(N)C2[NH3+])nc1,0,GDB MedChem
192075,Cc1cc2c(C)c(N)c(C)cc2c(C[NH3+])c1C,0,GDB MedChem
124670,CCNc1cn[nH+]c2cc(NC)ccc12,0,GDB MedChem
268795,CCC(=O)C1=C(C)CC=C(C#N)C=C1C,0,GDB MedChem
388363,COCC(=O)NCC1C([NH3+])CC1C[NH3+],0,GDB MedChem
303142,N#CC1NCCCC=CC12CC(C[NH3+])C2,0,GDB MedChem
397326,CC([NH2+]Cc1ccc[nH]1)c1csc(C(N)=O)c1,0,GDB MedChem
245208,N#CCCC1([NH3+])C=C(CO)CC1,0,GDB MedChem
347698,CC1=CCC=C(C)C(C)(C)N1C=O,0,GDB MedChem
278677,CC1(O)CN(CS(=O)(=O)[O-])CCOC1C1CC1,0,GDB MedChem
344408,CC1(CC(N)=O)CC[NH2+]C2C1=CCC2O,0,GDB MedChem
306808,CCC1CC[NH+](C)C12C1=CCCC1C2C,0,GDB MedChem
62356,C#CC([NH+](C)C)C1(CO)CC1,0,GDB MedChem
208143,C=C(CO)C(=CCO)C1(CC)CC1,0,GDB MedChem
347150,C1=CC2(n3cccc3)CCC2C1,0,GDB MedChem
104847,CC=C(CCO)CC1C([NH3+])CC1[NH3+],0,GDB MedChem
43379,CCCC(=O)CC[NH2+]CC1CCC(=O)C1(C)C,0,GDB MedChem
223864,CC1C(C)C(O)(C(C)C[NH3+])C1C,0,GDB MedChem
92232,CCC(C)(C)c1cc(O)c(COC)c(C)n1,0,GDB MedChem
125521,CCCC1=CC(C(C)C)COCCC=C1C,0,GDB MedChem
218198,C#CCc1cc(CC)c2c(C)sc(CC)c2c1,0,GDB MedChem
252402,C[NH2+]C1CCCCC1(C)[NH2+]C(C)(C)C,0,GDB MedChem
366652,CCC1C=CC2(C(C)CC[NH2+]CCO)CC12,0,GDB MedChem
394673,COC1C(O)CC2CC21C#N,1,GDB MedChem
71013,CC#CC1C(CC)C1CC,1,GDB MedChem
114024,COC1(S(C)(=O)=O)C=CC(C#N)C1C,0,GDB MedChem
605,C#CCC1=C(CC)C2(C)C(=O)NC2CC1=O,0,GDB MedChem
27827,N#CC(C([NH3+])CO)C1CC(C[NH3+])N1,0,GDB MedChem
129488,CC1=C(C#CCC(C)CC#N)CCC=CC1,0,GDB MedChem
296800,CCC1C=C(c2ccccc2)C(CC)C1,1,GDB MedChem
56187,CC1=CNC(=O)CC=CC1C(=O)C(F)(F)F,0,GDB MedChem
67312,CC1C=C(CC2C(C)C[NH+]2C)C(=O)C1,0,GDB MedChem
92448,CC1C2C(CN)[NH2+]CC2N1C(N)=O,0,GDB MedChem
281373,CC[NH2+]CCC(O)C1CC([NH3+])C1,0,GDB MedChem
51805,CC1=C2CC[NH2+]C2CC(=O)CC[NH+](C)C1,0,GDB MedChem
200251,C#CC1(C)C=C(C(C)C(C)COC)CCO1,0,GDB MedChem
84044,CC[NH2+]C1CC2(C=C1COC)CCN2C,0,GDB MedChem
35412,CC1CCC2C[NH+](C3CC3)CC1(O)C2[NH3+],0,GDB MedChem
96609,CCC(C(C)(CC)CC)C(C)(C)OC,0,GDB MedChem
321175,CCC(=O)NCC#CC(C)OC,1,GDB MedChem
160523,[NH3+]CC1C=CC2(CO)OC(C[NH3+])CCC2O1,0,GDB MedChem
314006,C#CC(C)CCCOCC1(C)CC(CC)C1,1,GDB MedChem
211621,CN1CC(C2C=CC[NH2+]2)C1,0,GDB MedChem
296781,CCC[NH+](CCO)CCC(N)c1nn[nH]c1C,0,GDB MedChem
37862,NC=C1CC(C=CC(=O)[O-])NC1=O,0,GDB MedChem
81380,CC([NH3+])C(C)OCC1(C)OCC1[NH3+],0,GDB MedChem
132767,C#CC1=C(C)CC2C=CC(=CCC2)CC1,0,GDB MedChem
178892,N#CC1=CCCNC2C([NH3+])CNC12,0,GDB MedChem
175069,CCC1C[NH2+]C2CCOC1C2O,0,GDB MedChem
92241,N#CCCC1=C2C=CC(CCCC=C1)C2O,0,GDB MedChem
224339,CC1CN(C=O)CC(C)O1,1,GDB MedChem
206596,CC1=C(C#N)CCC=Cc2c1cc(C)n2C,0,GDB MedChem
99215,C#CC(C[NH3+])(CCC)C1CC2CCCC(C2)C1,0,GDB MedChem
63552,Cc1c(OC(C)C)cnsc1=O,0,GDB MedChem
124476,[NH3+]C1CC1CC1(O)CCC1,0,GDB MedChem
201637,C=C1CCCC2CC2[NH2+]C(C)CC1,0,GDB MedChem
267780,CCC1(C)OC2C(=O)NCC2[NH+](C)CC1CO,0,GDB MedChem
104151,C#CC1(C[NH3+])CC2=C(C[NH2+]C2C[NH3+])C1C,0,GDB MedChem
344436,C#Cc1c[nH]c(C[NH2+]CC)c1,0,GDB MedChem
101845,CC[NH2+]C1(C)CC(=O)C1C,0,GDB MedChem
280107,CCCCC1OC2C(C)=C(C)C1C2CCC,0,GDB MedChem
340261,C#CC(C(=O)C(=C)CC)=C1COC1,0,GDB MedChem
226510,C#CC1COC(C[NH3+])CC1C1CC1,0,GDB MedChem
357222,CC#CC1C(C)C2CC2[NH+]1C(CO)CO,0,GDB MedChem
205176,CC1C2CNC(=O)C([NH2+]2)C1N,0,GDB MedChem
347707,C#Cc1snnc1COC1CC1,1,GDB MedChem
32313,CCCOC(=O)C1(O)CN(C2CC2)C1,1,GDB MedChem
358681,CC(C)C1=CC(=O)C2C(O)C2C1,1,GDB MedChem
41713,O=C1CC=C2CCCCC2CC1,1,GDB MedChem
332065,[NH3+]CC(C(O)CO)C1([NH3+])CC1,0,GDB MedChem
191242,C1=CC2C(C=CC23C[NH2+]C3)C1,0,GDB MedChem
112689,N#CC1C([NH3+])CCCCCC1O,0,GDB MedChem
204775,CC#CC1=CC2(CC2)C([NH3+])C1C,0,GDB MedChem
290059,CCC1=CC(C(C)=O)C2C(CC#N)C12,0,GDB MedChem
238159,CCOCC1CC1(CC)CO,1,GDB MedChem
369220,CCc1c(C)ccc2c1OC(C)(CC)C[NH2+]C2,0,GDB MedChem
105405,OCCC(O)C1C2C3CCC12CC3,0,GDB MedChem
198984,N#CC(O)CC1OC2C[NH2+]CC21,0,GDB MedChem
56919,CC1C(=O)C2(CO)CC2CC=C2C=CCC21,0,GDB MedChem
138327,N#CC(O)C1OCC(=O)C2CC21,0,GDB MedChem
178969,OC1CC2(C1)C(O)CNC1C[NH2+]C2C1O,0,GDB MedChem
162157,C=CC(C)CC([NH3+])c1cnc([O-])o1,1,GDB MedChem
174784,C[NH2+]C1C2CCC3=CCCC3C21,0,GDB MedChem
52927,C#CCC(C)(CC)C(CC)CCC(C)(C)[NH2+]C,0,GDB MedChem
63943,Cc1nc(C)c(CCC(=O)C(=O)C#N)c(=O)s1,0,GDB MedChem
286057,CC1CCC=CCOC2C(CO)C12C,0,GDB MedChem
355233,C=CC1=C2C[NH2+]CC2(O)C(=O)CC1,0,GDB MedChem
257911,CN1CC(CO)OC(CC#N)C1,1,GDB MedChem
144909,C#CCC1C(C)CC[NH2+]C1C,0,GDB MedChem
194808,CC1CC(C(C)(C)C)C2(CC2)O1,0,GDB MedChem
55444,CCC(C)C(=O)C1CC2CC1(CO)CCC[NH2+]2,0,GDB MedChem
384360,C=CC1C=CC(C)(OC)C(C)C1=C,1,GDB MedChem
171068,COc1ccc(N2CCC3(CC3)C2C)o1,1,GDB MedChem
145418,C#CC1(CC#N)C=CC(C)O1,0,GDB MedChem
9445,C[NH2+]C12CC1COC2C(C)OC,0,GDB MedChem
169730,CCC1(C2CC2)C(=O)C=C(C(C)=O)C1O,0,GDB MedChem
376828,Cc1nc2c(c3c1C(=O)NC3)CC(C(C)C)C2,1,GDB MedChem
370797,CC1=CCC=CC(=O)C[NH2+]C1,0,GDB MedChem
141371,CC(C)[NH+]1CCCOCCC2[NH2+]CCC21,0,GDB MedChem
209286,Cc1cc2c(C)c(n1)C(C)CC(C)CC[NH2+]C2,0,GDB MedChem
211872,CC1C=C2COCC2C([NH3+])C[NH2+]1,0,GDB MedChem
204700,C=CC1OCC(O)C(CO)=CC1=NO,0,GDB MedChem
12581,C#CC1COC2OC(=O)c3cncc1c32,1,GDB MedChem
183035,O=C1OCCC2C=CCCC=CC12,0,GDB MedChem
240742,CC1C=C2CC(C#N)=CCC2C=CC1,1,GDB MedChem
323553,C#CC([NH3+])CC(C)c1cn(C)cc1CC(C)C,0,GDB MedChem
356588,C#CCCCC(C)OC(CC)CC([NH3+])CCO,1,GDB MedChem
305640,COC12CC1C(C)OC2C,1,GDB MedChem
36325,COC(CCCCC1(C)CC1)C(F)(F)F,1,GDB MedChem
15066,CC(=O)CCC(C)(CO)Cc1cccn1C,0,GDB MedChem
314836,CCC(=O)CC(=O)CS(=O)(=O)N1CCC1,1,GDB MedChem
369149,C[NH2+]C12CCC3CC3C1COC2,0,GDB MedChem
322643,CC(C)OC1CCC1([NH3+])CC#N,0,GDB MedChem
224854,CNC(C#N)C(C)OCC[NH3+],1,GDB MedChem
252417,CC12COCCC1C(N(C=O)C=O)C2,0,GDB MedChem
120118,N#CC1=CC(CO)C(CO)CC2([NH3+])CC12,0,GDB MedChem
133430,C#CC1C(CC)C([NH3+])CC12CC2,0,GDB MedChem
96422,CCC1=CCC2CC(O)C([NH3+])C12C,0,GDB MedChem
356637,CC1C2CCC=C2C1(C)CO,0,GDB MedChem
111191,CCC1COCC1C(CO)S(C)(=O)=O,0,GDB MedChem
232135,CC(C)C1C[NH2+]CCC2CCC21,0,GDB MedChem
224370,N#Cc1c(C(CO)CO)coc1CC[NH3+],0,GDB MedChem
313237,C#CC(CNC(=O)CO)OCC,1,GDB MedChem
361086,C[NH2+]CC(C#N)COC(CO)C1(C)CC1,0,GDB MedChem
239658,C#CC(O)C([NH2+]CCO)C(C)O,0,GDB MedChem
339848,CC(CC#N)[NH+]1CCC(CNC=O)CC1,0,GDB MedChem
216286,CCC#Cc1cc(CCC)c(C(C)(C)[NH3+])o1,0,GDB MedChem
128384,CCCC[NH+](CC)CCC1(O)CC1O,0,GDB MedChem
162231,CC(=NO)c1scc([O-])c1CCCC(C)(C)C,0,GDB MedChem
14422,CCCC(CC#N)C(C)(C)C#CCCO,0,GDB MedChem
359305,CC12C[NH2+]CC(C(=O)OC1)C2O,0,GDB MedChem
56194,C#CC1(C)C(CC(C)(CC)CC)CC(C)[NH+]1C,0,GDB MedChem
226703,CCC(OC)C(CC)C(C)(C)C(C)(C)C(N)=O,0,GDB MedChem
45180,C#CC1=CC(C)COC(=O)C1,1,GDB MedChem
262498,O=C([O-])C1[NH2+]C2C(=CC1CO)CCC2O,0,GDB MedChem
287282,CC(C)OCc1cc(N)c(NC(=O)CO)s1,1,GDB MedChem
145869,CCc1c[nH]c2c1C=CC(C)CC2,1,GDB MedChem
319560,CC12C=CC3CC3CC(=O)C1C2,1,GDB MedChem
127589,CC#CCC(=N[O-])C(C#N)C(C)=CC,0,GDB MedChem
94107,C#CC1=CC(=O)OC2(CCO)C[NH+](C)CC12,0,GDB MedChem
164298,CC#CC[NH2+]CCc1nsc(C)c1C#N,0,GDB MedChem
278409,C#CC1=CC=C2CC(C=C)=CC=C12,0,GDB MedChem
58882,CCC1(C)CC2OCC=C21,0,GDB MedChem
118782,COC1C(O)CCCC2C1NC(=O)N2C,0,GDB MedChem
332772,CC1CC2(C)CC1[NH2+]CCC2C,0,GDB MedChem
52547,C=CC1OC2C[NH2+]CCC(=C)C1C2,0,GDB MedChem
190981,CC1CCC2CC1C(C)N2C=O,1,GDB MedChem
115810,CCC1CC([NH3+])C(C[NH3+])C1O,0,GDB MedChem
194312,C#CCCC1C(CCCC)C(O)COC1(C)C,0,GDB MedChem
217622,COC1C=CC=CC(C)=C2CCC=CC1C2,0,GDB MedChem
283191,CC12CC(O)C(O)CCOC1C2,0,GDB MedChem
310570,CC1CC2CC[NH+]2CCCC1O,0,GDB MedChem
8056,[NH3+]C(CNC=O)C1CC2C(CO)C[NH+]2C1,0,GDB MedChem
229890,C#CC(C)Cc1c[nH]c(=O)cc1C(C)C(C)C,1,GDB MedChem
192403,CCC1CCC=CC(N)C(C)[NH2+]1,0,GDB MedChem
347404,C=CCC(=C)n1nccc1C#CC,0,GDB MedChem
264380,C#CC1=C(C[NH2+]C)CN(C)CC1=C,0,GDB MedChem
360185,CCCC1CC1C1=CCC[NH+](CC)C1,0,GDB MedChem
103548,CCC1CC(=C2CC=CCC2(C)CO)C1,0,GDB MedChem
151449,CCCC(OC)C1C([NH3+])C1OC(=O)C#N,0,GDB MedChem
25712,CCC1CCC2(CC1)CC1CC2C(=O)CC1O,0,GDB MedChem
144453,CCCC1=CC([NH3+])CN(CC[NH3+])C1C,0,GDB MedChem
130787,C[NH2+]CC(C)NC1CC([NH3+])C1,0,GDB MedChem
238243,[NH3+]CC#CCC1=CCC2C=CC3CC123,0,GDB MedChem
11928,CCC1=CC(=O)CC2CC2NCC1=O,0,GDB MedChem
368990,CC1CCC2C[NH+](C(C)C)C12,0,GDB MedChem
73153,COC(C)Cc1ncc(N)c(=O)s1,0,GDB MedChem
204717,N#CC1c2cncnc2CCCOC2CC21,0,GDB MedChem
154126,CC1C(O)C(OCCO)CC12CC[NH2+]2,0,GDB MedChem
110177,CCCC1C=CC(C2C(C)=CCC2(C)C)C1,0,GDB MedChem
266753,C[NH2+]CCC#CC(NC=O)C1C(C)C1[NH3+],0,GDB MedChem
389827,CN=c1c(C(C)C[NH2+]C)cnnn1C,0,GDB MedChem
50159,C#CC1CC2=CCC(OCC(C)CC)C21,0,GDB MedChem
394805,C#Cc1c(CC)[nH]c2c1CC(=O)CC(C)C2C,0,GDB MedChem
102753,Cc1ccn2c1CC=C(C1OCC1C)CC2,0,GDB MedChem
340345,N#CC1C2C(=O)OCC2CC1(O)CO,0,GDB MedChem
152928,C[NH2+]CC1C=CCOC12CC2O,0,GDB MedChem
140483,COCCC(C(C)CC(C)C)C1CC[NH2+]C1C,0,GDB MedChem
163968,CC#Cc1cn2c(c1C(C)C)CCC=C2,0,GDB MedChem
277534,CC(C#N)C12CCC(O1)C(O)C2,1,GDB MedChem
136994,CN(C)C(=[NH+]C1CC1)c1cnn(C)c1,0,GDB MedChem
331984,CNC(N)=[NH+]CC1(C(C)(O)C#N)CC1,0,GDB MedChem
391961,CCC1=C2CCC1C(C)=C(C)CCOC2,0,GDB MedChem
212030,C#CC1(C)CC(C)OCOC(C)C1[NH3+],0,GDB MedChem
128181,CC1CNC2C(=O)C(=O)CN1C2C1C[NH2+]C1,0,GDB MedChem
384638,CC1CC2=C3CCCC3C([NH3+])CCC21,0,GDB MedChem
341479,CCC(CC)N(C=O)CCC#CCO,1,GDB MedChem
132620,CC(C)CC1CCCC1=C1CCC1C[NH3+],0,GDB MedChem
395547,CC1=CC=CC=C2C(C)C(O)CCCC12[NH3+],0,GDB MedChem
153895,CCC1C(C)[NH2+]C1COC,0,GDB MedChem
110861,CN1CC(C#N)=CC12C[NH2+]C2,0,GDB MedChem
57549,C#CC[NH2+]C1COC1C(C)CCCC=NO,0,GDB MedChem
253052,[NH3+]CC#CC1(O)COC(=O)C1,0,GDB MedChem
295306,CC(C)C1=CCOCC(=O)N1CC#N,1,GDB MedChem
187349,C#CC1=CC(=O)C2(C1)CC(O)C2,1,GDB MedChem
116889,C=C(C)C1([NH3+])COC2COC1C2O,0,GDB MedChem
122337,CCC1(C(=O)C#N)CC1n1cc[nH+]c1C,0,GDB MedChem
183938,COCC(=O)OC1C(CO)C1(C)C,0,GDB MedChem
370492,NC1CC([NH3+])C(N)C2(CC2)C1[NH3+],0,GDB MedChem
220037,CC(C#N)c1ccc2c(c1F)NCC21CC1,1,GDB MedChem
340361,CC(C)[NH2+]C1CCN(CCO)C1=O,0,GDB MedChem
62747,C#CC1(c2ccccc2C[NH3+])CCO1,1,GDB MedChem
394664,C#CC(C)=C1C(C)C(O)(CO)C1[NH3+],0,GDB MedChem
355587,C#CC(C)(C)c1cc2c(c(CCC)n1)CCC2,1,GDB MedChem
253335,CC#Cc1c(OC)ncc(C)c1COCC,1,GDB MedChem
371897,CC1COC(C[NH3+])C1N(C)C=O,0,GDB MedChem
175636,CC1C(CO)=CC2CC2[NH+]1C,0,GDB MedChem
123565,C[NH2+]C(C)CCC1[NH2+]C(C)(C)C(NC=O)C1N,0,GDB MedChem
76655,OCC1=CC2CCCCC#CC1C2,0,GDB MedChem
392376,N#CCC1=CCC[NH2+]CC1C1C[NH2+]C1,0,GDB MedChem
224892,C#CCCC1[NH2+]CCC=C(C(C)CC)C1=O,0,GDB MedChem
357761,C#CC1(C(C)(C)O)CC=C2CC([NH3+])COC21,0,GDB MedChem
51229,CCc1cccc2c3cncsc-3c(C)c12,0,GDB MedChem
268781,CC1(C[NH3+])C#CC=CCC=CC1,0,GDB MedChem
262745,C#CCC1C2C[NH+](C)CCCC(C)C1(C)CO2,0,GDB MedChem
21006,Nc1ccc2cc(C3CC3)sc2c1C[NH3+],1,GDB MedChem
207161,O=C(CCO)CC1(O)CC[NH2+]C1,0,GDB MedChem
42366,C#CC(C#N)CC1=CCCOCC12CC2,0,GDB MedChem
137584,CC(C)C=C(C[NH+]1CCC1)C(=O)[O-],1,GDB MedChem
227673,CCC[NH2+]C1CC(=O)OCC1C,0,GDB MedChem
137465,C#Cc1c(C)oc(NCC(C)[NH2+]CC)cc1=O,0,GDB MedChem
372014,CC1CC2CC=C3CC(O)C312,0,GDB MedChem
110121,CC1C=CC2C(C#CC[NH3+])C12,0,GDB MedChem
322511,CC1CC2CN(CC[NH3+])CC(C[NH3+])(N2)C(=O)O1,0,GDB MedChem
157228,CC=C1C(=NO)C=CC1C#CC1CC1,0,GDB MedChem
222932,C#CC1=CC(CC)CC1COC,0,GDB MedChem
78505,C#CC1C([NH2+]C)CC2CCC1[NH+]2C,0,GDB MedChem
75288,CNC1(C(N)CC[NH3+])CCC1[NH2+]C,0,GDB MedChem
40119,CC1CC2(CC2C[NH3+])[NH2+]1,0,GDB MedChem
198556,CCOC(=O)CN1CC([NH2+]C)C2(N)CC12,0,GDB MedChem
343066,C#CC1(C[NH3+])C([NH3+])CC(O)CC1CC#N,0,GDB MedChem
221555,N#CC1CCC1(O)C(O)CC[NH3+],0,GDB MedChem
232817,CCCC1CC2CCC(C)C(C)C[NH+]1C2,0,GDB MedChem
330886,CCCC1CC=C(c2nc(NC)c[nH]2)C[NH2+]1,0,GDB MedChem
377421,C#CCC1CC2(CO)C[NH2+]C12,0,GDB MedChem
117962,CCOC1C2C=CCOCC(C)(O)C21,0,GDB MedChem
325504,CCc1cnc(CCC2(C)CC[NH2+]2)o1,0,GDB MedChem
226289,C#CC1C(O)CC1OC,1,GDB MedChem
175460,CC[NH2+]CCNC1CC(=NO)C1,0,GDB MedChem
365204,CCCC1CC[NH2+]C(C)CC1=O,0,GDB MedChem
241383,C[NH2+]C1CCC(C2(C)CC2)C[NH2+]C1,0,GDB MedChem
301722,CC1CCCC2C[NH+]3CC1C23,0,GDB MedChem
110898,CC(C)C1C=C2CC=CC23C=CC[NH+]3C1,0,GDB MedChem
198486,CC1CC2(CC=CC3CC[NH+]32)C1,0,GDB MedChem
282067,CC#CC1=CC2NC(C=C1)CNS2(=O)=O,0,GDB MedChem
397213,CC1CC(O)C1([NH3+])CC(O)C1C[NH2+]C1,0,GDB MedChem
140534,Cc1c(N)c2c(O)cncc2c2[nH]cnc12,1,GDB MedChem
342742,COCCC[NH2+]CC(=O)CO,1,GDB MedChem
145538,Cc1cnc(OCC[NH+](C)C)[nH]1,1,GDB MedChem
241195,CC1CC2(C3C=CCC3)C(=O)CCC12,0,GDB MedChem
62290,COC1C(N)=C(C)C(=O)C(C)C12CCC2,0,GDB MedChem
62422,Cc1nc(C2CC2)c(C)c2c1CC(=O)CC2,1,GDB MedChem
68528,C#CC1(C)CC2CC2C=CC1=O,1,GDB MedChem
121017,CCC1CC2(CC(=NO)C(C)C=CC(C)C2)O1,0,GDB MedChem
397620,CC(C)CC1CC(C)CCC1C,1,GDB MedChem
86776,CC[NH2+]C(C)(C)CCC(N)=O,1,GDB MedChem
43409,C#CC1C2=C(C)CC3CC1C23,0,GDB MedChem
350101,C=CC(=C)CC1OCC=CCCO1,1,GDB MedChem
363391,C#CC1CCC2CC1(C(N)=O)[NH+](C)CC2C,0,GDB MedChem
60080,CC#Cc1nc(O)c(C)c(NC)n1,1,GDB MedChem
62641,CC(O)C(N)C[NH+]=c1[n-]cc(N(C)C)oc1=O,0,GDB MedChem
249239,C=CN(C=C)C(=O)C(=C)C(=C)C[NH3+],0,GDB MedChem
219046,C#CC12C(O)C1OCCN2CCO,0,GDB MedChem
291129,CC(C#CCO)c1cn[nH]c1,0,GDB MedChem
312439,C#CC1=CCC2=C(COC)COCC=C12,0,GDB MedChem
152467,CCC(C)c1ccc(O)n1C(=O)N(C)C,1,GDB MedChem
35368,C1CCC2C3CCOCCNCC23[NH2+]C1,0,GDB MedChem
54875,CC[NH+](CCCO)C(C)C(CN)C[NH3+],0,GDB MedChem
162360,O=CNC1COC2C[NH2+]CC(C1)O2,0,GDB MedChem
310686,C[NH2+]C1(C)CC=C(C#N)C1,0,GDB MedChem
63903,CC1C(O)COCCC1C1(C)CC=CC[NH2+]1,0,GDB MedChem
223375,CC#CC(=O)CC1CC[NH2+]CC1,1,GDB MedChem
296813,CCC1CC(CNC=O)C2C[NH2+]C1C2,0,GDB MedChem
255675,COc1cc2c(c(C(C)CC(C)C)c1)CCN2,1,GDB MedChem
206530,COC(C)c1cnc(Cc2ncco2)cc1C,1,GDB MedChem
76263,CC1=CC2C(C)Oc3cnnnc3C2C1,0,GDB MedChem
287599,CC1C(O)CNCC(C#N)C1[NH3+],0,GDB MedChem
132912,CC1CC(C(C)(O)C(=O)C#N)O1,0,GDB MedChem
207984,C[NH2+]C1CN(C=O)CC1CC(C)(O)CC[NH3+],0,GDB MedChem
123579,COC1(CC2CC2)CC2CC21,1,GDB MedChem
196640,C#CC1CC(N(C)C2C[NH2+]C2)C1=C,0,GDB MedChem
278264,C#CCC(CC(C)C)C(=C)C[NH2+]C,0,GDB MedChem
191644,CC=CC#CC1C[NH2+]C1CC1CC1,0,GDB MedChem
123953,N#CC1(C2CNCC([NH3+])C(CO)O2)CC1,0,GDB MedChem
81189,C1CC(C[NH+]2CC(C3CC3)C2)C1,0,GDB MedChem
172208,N#CC#CC([NH3+])C1CC=CCC1,0,GDB MedChem
275039,CC1C2C=CC3(C)CC=C(C[NH3+])CC=C3C12,0,GDB MedChem
86953,C[NH2+]CCC1CCCCC(O)C(O)C1,0,GDB MedChem
195619,C[NH2+]CC1=CC#CC=Cc2ccc([nH]2)C1,0,GDB MedChem
52367,CCC#CC(C[NH3+])NC1C(C)OCC12CC2,0,GDB MedChem
273581,CC#CC1CN(C(N)=O)C=CC12CCO2,0,GDB MedChem
191199,CC[NH2+]C(CC)CC1(C)CCC(CC#N)C1O,0,GDB MedChem
365245,CC[NH2+]C(C)CNC1=[NH+]CCCC(=O)N1,0,GDB MedChem
227203,C#CS(=O)(=O)C(C)c1sccc1[O-],0,GDB MedChem
135726,CC[NH+]=c1[nH]c(NC)[nH+]cc1C#CC1CC1,0,GDB MedChem
201230,N#CCC(O)C1([NH3+])CCCC(C(N)=O)COC1,0,GDB MedChem
43847,C#CC1OCC(C)CC(C)(C)CC[NH2+]C1C,0,GDB MedChem
179007,COCCC(C[NH3+])C1CCC1,1,GDB MedChem
227240,CCC[NH2+]C1CC2=CC(=O)C(C)C2(O)C1,0,GDB MedChem
86262,CC#CCC(COC)OC,1,GDB MedChem
326563,O=C(NC1CC1)C1COCO1,1,GDB MedChem
261889,CCOC(CO)CC[NH2+]C1CC1,0,GDB MedChem
16614,CC(=NO)C1=CC(O)C2CC1[NH2+]CCO2,0,GDB MedChem
163740,C1=CC2OCCC2[NH2+]CC1,0,GDB MedChem
232604,COC(C)(C)c1c[nH]cc1C1(O)CC1,1,GDB MedChem
369227,C#CC(CC)[NH2+]CC(C)(NC)C(C)[NH3+],0,GDB MedChem
52904,C=CC(C=C)=Cc1nc(C#N)ns1,0,GDB MedChem
368327,CCC1C=CCCC2([NH3+])CC12,0,GDB MedChem
13714,c1csc(CC2OCCC3C[NH2+]C2C3)c1,0,GDB MedChem
369567,COC12C3C[NH2+]CC1CC2OC(=O)C3,0,GDB MedChem
391956,CCC#CCC1C[NH2+]CC1=O,0,GDB MedChem
52194,C#CC1C=C(C)C=C2C=CCC3OC1C23,0,GDB MedChem
179552,CC1CC2(C=CCOC2CC(C)(C)C[NH3+])C1,0,GDB MedChem
192802,C#CCCCC1(C#N)CC=CC1,1,GDB MedChem
32864,CCCc1ncnc2c(C)ncc(C)c12,1,GDB MedChem
133121,C#CCCCC1C(=O)OC2CC21[NH2+]C,0,GDB MedChem
296968,C#CCCCC1CCC(C[NH3+])C(C)N1C=O,0,GDB MedChem
164101,C#CCC12COCC=C1C[NH2+]2,0,GDB MedChem
14879,CN1C2CNC(=O)C1(CC[NH3+])C[NH+](C)C2,0,GDB MedChem
140477,C1#CCOCc2scnc2CC1,1,GDB MedChem
111314,COCCC12C[NH2+]CC1NC(=O)N2,0,GDB MedChem
153451,C=CC1=CC(CCCC[NH2+]C)=CC1,0,GDB MedChem
225745,C#CC1C(=O)N(C)CC1(C)C,1,GDB MedChem
130766,[NH3+]C1CCC=CCCOC1CCO,0,GDB MedChem
280927,CCC12CC(C=C1C)CC2O,1,GDB MedChem
281736,CNC(=O)NC1CC(C[NH3+])C(O)(C(C)O)C1,0,GDB MedChem
63525,CC1=C(C)C2[NH2+]CC=CC2C=CCC=C1,0,GDB MedChem
266989,C#CC1CC2C(C)C2S(=O)(=O)C1=CC,0,GDB MedChem
82755,C#CC1(C(C)Oc2cnoc2)CC=CC1,0,GDB MedChem
104884,CN1CC(C)(O)C(=O)C1C1CCC1O,0,GDB MedChem
51234,FC(F)(F)CC1=CC#CCCOCC1,0,GDB MedChem
90018,CNc1nscc1CCc1ccc(N)[nH+]c1,0,GDB MedChem
151491,C#CC([NH3+])C1NC(C[NH3+])C1(C)N,0,GDB MedChem
297829,C#CC(C)(C)CCCC(=O)C1(CC)CCCC1,1,GDB MedChem
251598,[NH2+]=c1ccc(CC2COC(=O)C2)c([O-])[nH]1,1,GDB MedChem
397323,CC=C1C(C(N)=O)CCC(C)C1[NH3+],0,GDB MedChem
245564,Cc1noc2cnc(N(C)C(C)C)cc12,1,GDB MedChem
205718,CC1=CC#CCC=Cn2cc(N)cc2C1,0,GDB MedChem
322530,CC(=CCC(N)C#N)n1cnnc1,0,GDB MedChem
213553,CC=CC=CCCOCCC=CC,0,GDB MedChem
319260,CC1=CCC(C)C(C2(C)CC2)CCC(=O)C1,0,GDB MedChem
114215,C[NH+](C)CC1C2CC(C#N)C(=O)OC21,0,GDB MedChem
191141,C#CC1C=CC(CCC2([NH3+])CC2)=CC=C1C,0,GDB MedChem
225740,CC1(C)C(C#N)=CC(=O)CC(O)C1C=NO,0,GDB MedChem
211548,C#CCC1(O)CNC(=[NH2+])NC1,0,GDB MedChem
362265,CCCC1=CC=C(C)C=C(C[NH3+])CC1,0,GDB MedChem
320108,CCC1OC2(C)CC1CC2=O,0,GDB MedChem
138710,COC1C[NH2+]C(C(C)O)C1O,0,GDB MedChem
214966,CCC[NH2+]C1C#CC2CC2C([NH3+])CCC1,0,GDB MedChem
186782,CN(C=O)C1=C(N)C2CCN2CC1=O,0,GDB MedChem
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320071,CCC([NH3+])(CC)C1CC(C)(CC)[NH+]1C,0,GDB MedChem
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36339,Cc1cc(O)c(N(C)CC(C)C#N)o1,0,GDB MedChem
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248576,CC([NH3+])C(N)C1(CCO)CC1[NH3+],0,GDB MedChem
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231984,CCC1=CC2COCC2CCCCC1,0,GDB MedChem
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254034,CCCCC(O)C(C)(C)CC([NH3+])CC[NH3+],0,GDB MedChem
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201753,CCCC(C)CC(=O)C(C)(C)C1CCC(C)C1,1,GDB MedChem
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42916,CCc1nsc(C#Cc2ncc[nH]2)n1,1,GDB MedChem
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199003,C=C1NC(=O)C(C)NC1CC1CC1,0,GDB MedChem
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331882,CCc1cc(C)nn1C(C)C,1,GDB MedChem
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327348,CC#CC1CCN(C2C[NH2+]C2)C1,0,GDB MedChem
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45134,CCCC1(C(C)CC)CC=CCC[NH2+]1,0,GDB MedChem
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389007,C=C1C(OC)C=C(S(=O)(=O)NC)C1C,0,GDB MedChem
367250,C#CC(NC=O)C([NH3+])C(C)O,0,GDB MedChem
117725,CC(C)c1occ2c1C1CC1CCC2,0,GDB MedChem
239937,C1#CCC[NH2+]CC2=CCCC(=CC1)C2,0,GDB MedChem
110150,NC(C[NH3+])C[NH2+]CC1C(O)C1CO,0,GDB MedChem
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291097,CCCCCC#CC1(CC)CC1,1,GDB MedChem
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351472,CCCNc1cc(CC)n(C(=O)CO)c1O,0,GDB MedChem
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149781,CC12NCC3[NH2+]CCC3C1OCOC2=O,0,GDB MedChem
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194069,CCCC1=C(C[NH2+]C)C[NH+](C)C1,0,GDB MedChem
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280386,OC1CCC2OCC(O)C12,1,GDB MedChem
201846,CCCC(C)C1C=CC(C)[NH2+]1,0,GDB MedChem
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129487,C#CC1=CCCC1=C1COC1,0,GDB MedChem
380519,CCCC([NH2+]C)C(C)C1CCCCCCOC1,0,GDB MedChem
391931,CC=C1C=CC(O)C(C)C12CC[NH2+]2,0,GDB MedChem
45137,C[NH+]1CC2(CC3CCCCCCC3)CCC1C2,0,GDB MedChem
116888,CNC(C#N)C#CC[NH2+]C,1,GDB MedChem
364119,CN1C2=[NH+]CC1CC=CC(C(N)=O)N2,0,GDB MedChem
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303552,CCC1(C#CCCO)CCO1,1,GDB MedChem
358966,CCCC(C)CC1(C)C=C(C)C(C[NH3+])C1,0,GDB MedChem
210096,C=CC1CCOCC(=O)C12CC[NH2+]2,0,GDB MedChem
199013,C=C1CC(=NO)C(CCC)COC1C,0,GDB MedChem
102547,C#CC1=CC=CC(C)(C[NH3+])C(CC)=C1,0,GDB MedChem
244256,CCNc1c(C(C)=O)sc(C(C)(C)C)c1CO,1,GDB MedChem
113081,CC#CC(NC=O)C(=O)[O-],0,GDB MedChem
57015,[NH3+]C1C(=O)NC=CC=C1C#CC(=O)[O-],0,GDB MedChem
38233,CC1CC2CCC(C#CC(C[NH3+])C[NH3+])CC12,0,GDB MedChem
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13286,CCC(C(C)=O)C(=O)CC1(C)CC(=O)O1,1,GDB MedChem
339900,C#CCCC(COC)[NH+]1CC(S(=O)(=O)[O-])C1,0,GDB MedChem
264089,C[NH2+]C1CC(CC[NH3+])CC1(C)[NH3+],0,GDB MedChem
46497,CC1C2OCC1C(C)(CCCC#N)O2,0,GDB MedChem
10513,CC1=CC([NH3+])C=C2C=C(C)C3[NH2+]CCC1=C23,0,GDB MedChem
297809,N#CC1=CC2=CCCC=CC=CC=C1C2,0,GDB MedChem
37885,CC1=C2CC[NH+](C2)C(C)COC(=O)N1,0,GDB MedChem
271911,CC=CC(=O)OC(C)C(CO)CO,1,GDB MedChem
120160,CCC1=C2CCC2CC1C1COC1,0,GDB MedChem
59145,Cc1oc2c(C)coc2c1CN(C=O)C(N)=O,1,GDB MedChem
56055,CC12CCCC(CC3CC=CC3C1)O2,0,GDB MedChem
76548,CCC1=CCC2C(C)=C(C)CC12,1,GDB MedChem
24371,CC[NH+](C)CC1C=C(C(C)C)NC(=O)OC1,0,GDB MedChem
373019,C#CC(=O)C=C1C=C(C#N)S(=O)(=O)C1,0,GDB MedChem
283542,O=C1CC2CCOCC(C2)N1,1,GDB MedChem
245413,C#CC=CC(=CC)C(O)C(=O)CO,0,GDB MedChem
14768,CCC1CC(=O)CC1(C)C(C)(C)CO,0,GDB MedChem
178995,CC(C)[NH+]1CC=CCc2c[nH]nc2CC1,0,GDB MedChem
123553,C[NH2+]CC(CO)(COCC#N)OC1(C)CC1,0,GDB MedChem
346647,N#CC1(C#Cc2ccco2)CC1,1,GDB MedChem
79868,CC1CC2(C#N)CC(=O)C(C)C12,0,GDB MedChem
138278,CCC(C)c1ccccc1C1CC[NH+](C)CC1,0,GDB MedChem
204108,C1=CCC(C2CC2)C[NH2+]CC1,0,GDB MedChem
323537,CC1CC(NC=O)COCC1(O)c1c[nH]cn1,0,GDB MedChem
314607,C=CC=CC([NH3+])C(=CNC=O)CO,0,GDB MedChem
247029,[NH3+]CC#CC1CC1c1ccc[nH]1,0,GDB MedChem
179090,CCC1=CC(CC)C(C)([NH3+])C=CC(O)C1,0,GDB MedChem
330868,CC(=O)C(NC(N)=O)C1CC2CCOC2O1,0,GDB MedChem
394792,CCCC1C2CNCC([NH2+]C)C12,0,GDB MedChem
68073,N#CC(O)CC(O)C1COC1,1,GDB MedChem
171923,OCCC1=CCOC2(CC[NH2+]CC2)C1,0,GDB MedChem
105587,CC(=O)NC1CC12CC[NH2+]C2CCO,0,GDB MedChem
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78990,CC1(C#CCO)CCOC1,1,GDB MedChem
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306775,CCC(COCc1sccc(=O)c1C)C(C)C,1,GDB MedChem
65492,NC(=O)CC1=C(NC=O)C2CC=CC(C1)[NH2+]2,0,GDB MedChem
56155,CCc1cc(C(C)(C)O)c(C2CCCCC2)s1,1,GDB MedChem
164248,N#CC(O)C(=O)Cn1ccc(CO)c(O)c1=O,1,GDB MedChem
81281,C1=C2CC(CC3C[NH2+]C3)C2CC1,0,GDB MedChem
72630,C#Cc1oc(=O)sc1CC([NH3+])CCO,0,GDB MedChem
192136,N#CCCC#CCN1CCCCC1=O,1,GDB MedChem
185851,CC1=CCC2(CCCC1)CC([NH+](C)C)C2,0,GDB MedChem
99387,C#Cc1c(NCC)oc(CC)c1C(C)(C)[NH3+],0,GDB MedChem
287235,CC1=C2CC(C)C1CC=CC=C2CO,0,GDB MedChem
336287,C[NH2+]C1(C(OCCOC)C2CCCC2)CC1,0,GDB MedChem
212039,C[NH2+]CCc1ocnc1C1CC(=O)N1,0,GDB MedChem
190580,COC1C([NH3+])C12C=CC(O)C2,0,GDB MedChem
366332,COCC(=O)n1ccnc1C(C)[NH3+],0,GDB MedChem
155985,CC(O)C1C(=O)OC2CC=CC1([NH3+])C2,0,GDB MedChem
280400,CCCCC(O)C1[NH2+]C(C(=O)[O-])C1N,0,GDB MedChem
16168,C#CC12CC=CCC(C=C(C)C1)C(O)C2,0,GDB MedChem
369493,CCC1OC(C)C(C)C2(CC2)C1=O,1,GDB MedChem
165509,CC[NH2+]C1CCC(C)(CC)C1C(C)(CC)CC,0,GDB MedChem
303182,CC(O)C(O)C1OCC12CCOC2=O,0,GDB MedChem
46465,CCCC1N(CC(C)=O)C(=O)C=CC1(C)C,1,GDB MedChem
183093,CC1C[NH+](C)C2CC2C(CO)(CC#N)N1,0,GDB MedChem
388169,CCCC1C(C(C)=O)=C(C)C23C=CCC2C13,0,GDB MedChem
319713,[NH2+]=C(NCCO)N1CCCC1,0,GDB MedChem
323548,CCC1=C(C)C(C)C(c2nocc2OC)C1,0,GDB MedChem
94578,C#CC(c1c(C)c(F)cc2c[nH]cc12)C(C)O,0,GDB MedChem
171106,C#CC(CC[NH2+]C)C1(C#N)CCN1,0,GDB MedChem
152128,CC1=CC2CC1C(C(C)C#N)C2,1,GDB MedChem
348276,O=C1C=C2C=CCC2=CC12CCO2,0,GDB MedChem
220043,C=CC1OC2(CC2)C(=C)CCC1[NH3+],0,GDB MedChem
344437,O=C(C=NO)CC1=CC(O)C=CC2(CC2)C1,0,GDB MedChem
381374,CC1=C(CC[NH+]2CCCC2)S(=O)(=O)N(C)C1,0,GDB MedChem
187266,CCOCCC(C)([NH3+])CO,1,GDB MedChem
201605,CC1=C2C(C)CC2CC=C2COCC2OC1,0,GDB MedChem
270850,CC(CO)[NH+](C)CCCO,1,GDB MedChem
14305,CC(C)CC1(O)C(C)CCCC1CC(C)(C)[NH3+],0,GDB MedChem
157237,CCC#CCNc1cc(C)cs1,1,GDB MedChem
218199,CCC1=C2CC3OCC(C)(CC2CC1)C3=O,0,GDB MedChem
118814,CC(C)C(CO)OC(=O)C#N,1,GDB MedChem
127314,CC([NH3+])CC(O)C(C1CC1)[NH+](C)C,0,GDB MedChem
90264,CC1C2CC([NH3+])C12CC#N,0,GDB MedChem
29336,CCCC(C)(CCNC=O)C(N)=O,1,GDB MedChem
82007,CC1=CC[NH2+]CC1Oc1cnsc1,0,GDB MedChem
353666,O=C([O-])C1CC=CCOC2(CC=CCC2)C1,0,GDB MedChem
219025,C#CCC1CC2(CC=CCC=CCO2)C1,0,GDB MedChem
135766,Cc1coc(C2=CNC(=O)C([NH3+])C2)c1C,0,GDB MedChem
232169,CCC=C(C)NC(=N)c1c[nH]nn1,0,GDB MedChem
18219,CNc1ccc(OCCc2nsc(=O)o2)nc1,1,GDB MedChem
168910,CCC(=O)c1cnc(CO)[nH]1,1,GDB MedChem
2811,CCCCc1cc(C)c2n1C=CCC2,1,GDB MedChem
218144,CCCOC1(CCC)C=CC=C1C,1,GDB MedChem
211043,CC1=CC(CO)COCCC(CO)C1,0,GDB MedChem
160172,C#CCCc1cnc(=NC)oc1C[NH3+],0,GDB MedChem
358686,C#CC(C)(C)C1C(C#N)CCC(C)C(=O)C1C,0,GDB MedChem
253846,[NH3+]CC1OCC2CCC21,0,GDB MedChem
210674,CCC1(C[NH2+]C)CC2=C(C)C3CC3C2C1,0,GDB MedChem
7630,C#CC1C=CC2(C[NH2+]1)CC2C,0,GDB MedChem
52100,CC1(c2cnnc(N)n2)CC(C[NH3+])C1[NH3+],0,GDB MedChem
307159,CCCC1=CC([NH3+])C2CC2C(C)([NH2+]C)C1,0,GDB MedChem
369209,CC1=CCC([NH3+])C2C[NH2+]CC=CC=C2C1,0,GDB MedChem
180513,CC(C)(C#N)C1OC(=O)OC1CO,0,GDB MedChem
301845,C#CC1(C)CC([NH2+]CC)C1,0,GDB MedChem
370811,CC(O)C1=CC(=O)NCC1=O,1,GDB MedChem
191067,CC1CCN(C(N)=[NH2+])C1(C)C,0,GDB MedChem
169920,CC#CC1=C(C)CC=CC2CC(C)C12[NH3+],0,GDB MedChem
51607,CN(C)C(=O)C(O)(CC#N)c1ccccc1F,1,GDB MedChem
282985,CCC(C[NH3+])(C[NH3+])c1ccc(=O)oc1C(C)C,0,GDB MedChem
3539,CCC([NH2+]C)C1=C(C)CCCC(O)C=C1,0,GDB MedChem
348105,CC1CC2(COCC=C2C#N)C1,0,GDB MedChem
90768,CC1CCC(C)C(C)C2=CC(C)(C1)[NH+](C)C2,0,GDB MedChem
263708,CN1CC2(CC=CCO2)C1,1,GDB MedChem
73,C#CC1OC2(C)CC2CCC1=O,0,GDB MedChem
144932,CC1(O)CC(C2CC2)=C2CCC21,0,GDB MedChem
331902,CCC(NC(N)=O)C(C)[NH2+]C,0,GDB MedChem
148971,C#CC1CCCC(CC)(CCO)CCOC1C,0,GDB MedChem
161854,CC1(C)CC=CC#CCC[NH2+]1,0,GDB MedChem
209279,Cc1nsc(=NCC(=O)CCCC(C)C)s1,0,GDB MedChem
376915,CNCC1C=C(C)C2(CC2)[NH2+]1,0,GDB MedChem
218624,C#CC1CC2C=CC1[NH+]2CC,0,GDB MedChem
7499,CCC1=C(C)CC(CNC=O)C=C1,1,GDB MedChem
240720,CCCOCCCC1C(C#N)C1[NH2+]C,0,GDB MedChem
171710,CC1C#CCCC(C)CC(=O)OC1,1,GDB MedChem
121547,CC1=CC2(CC1)OCC([NH3+])C(O)C2C#N,0,GDB MedChem
234124,CCC1=CC(=C2CCC2C)C(C)[NH+](C)C1,0,GDB MedChem
38833,CC1=CC2C=CC(N)C1[NH2+]2,0,GDB MedChem
305707,CC1CC(=O)Cc2c(O)cncc21,1,GDB MedChem
113329,CC(C)C1CNCC2C[NH+]1C(C)C2O,0,GDB MedChem
38282,N#CCCC[NH2+]CC(=O)C1=CC[NH2+]CC1,0,GDB MedChem
82261,CC(=O)C(C)(O)CC(=O)C#N,1,GDB MedChem
253119,CN(C)C12CC[NH+](CCC1O)C2,0,GDB MedChem
132925,C#CC1(C)CN2C(CO1)C(=O)C2C(C)OC,0,GDB MedChem
44054,CCC1C(C#N)CC12CC2C,1,GDB MedChem
28486,N#CC(=O)C1CC12C[NH2+]C2,0,GDB MedChem
376938,CCC(C1CCCCC[NH2+]C(C)C1)C(C)[NH2+]C,0,GDB MedChem
43885,CC(=O)NC(C)C(C)(C)O,1,GDB MedChem
147761,CN1C=C2CC(=NO)C(=O)CC(O)C2NC1=O,0,GDB MedChem
250467,CCCC1CC(C2NCCCOC2=O)O1,0,GDB MedChem
155432,C#CCC(CC[NH3+])OCC(O)C#N,0,GDB MedChem
205378,CC#CCC1C2=CCCC(C)=CC2C1C,0,GDB MedChem
253059,CC1=C2CC=CC2C2CC12,0,GDB MedChem
348331,CCC[NH+]1CC2CC(OC)CC2C1,0,GDB MedChem
135556,C#CC1(C[NH3+])COCCC1C(C)[NH2+]CCCO,0,GDB MedChem
191019,CC1Cc2nc(cs2)C(O)CCOC1CC#N,0,GDB MedChem
397612,CCC1C([NH3+])CCC[NH2+]C1C,0,GDB MedChem
149095,C#CC(C)C1CC1N(C=O)CC,1,GDB MedChem
93919,CCCC1CC2CCC(=O)C(C2)CC1(C)CC,0,GDB MedChem
30517,CC1=CCC(=O)C(=O)CCOCC=C1,0,GDB MedChem
380964,CC1=CC(C)C2C1CC2(C)O,0,GDB MedChem
362290,C=C(CC)CN1CC(=O)C=C1C#N,1,GDB MedChem
297972,N#Cc1nsnc1C1CCC1,1,GDB MedChem
216131,CCC1C(C)CC12CCC2,1,GDB MedChem
205150,C#Cc1ccc(C2COCCCCC2(C)C)[nH]1,0,GDB MedChem
174080,[NH3+]CCNC1C2C[NH2+]C(C(=O)[O-])C21,0,GDB MedChem
309723,CN(C)C1(CO)C[NH2+]CC1N,0,GDB MedChem
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270002,C#CCN(CCCS(=O)(=O)[O-])C1C(C)C1[NH3+],0,GDB MedChem
9074,COc1ocnc1C1CCCO1,1,GDB MedChem
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373161,C#CC(O)(C#N)c1cc(NC)c(C)cc1CC,1,GDB MedChem
314893,CC(C)C1(CO)C[NH2+]CC2C[NH2+]CCCC2O1,0,GDB MedChem
296789,C[NH2+]CCC1C2CC(CO)OCC12O,0,GDB MedChem
110640,C#CC1[NH2+]C(C)CC1OC(C)CO,0,GDB MedChem
119516,CC1=C2C[NH2+]CC=C2CCC(C)[NH2+]C1,0,GDB MedChem
109430,C#CCc1[nH]c(CO)cc1O,0,GDB MedChem
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86956,CC#CCC1CC(=C(C)C[NH3+])CO1,0,GDB MedChem
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55455,C#CC1(C)CC(=O)C2C(=O)NC(C)C21,0,GDB MedChem
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357299,CC#CC1(Cc2cc[nH]c(=O)c2)CC1,1,GDB MedChem
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255684,C#CCCC12CC(C)C(CC[NH+]1CC)C2CC,0,GDB MedChem
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369409,CCC1CC12C=CCCC1CC=C(CC2)C1,0,GDB MedChem
7018,CCCC(C)(C)CCCC1CC1,1,GDB MedChem
326112,[NH3+]C12CC1C=CCCOC2=O,0,GDB MedChem
41235,CC(C)c1cc2c(s1)C(C(C)O)CCC(=O)C2,0,GDB MedChem
30858,N#CC1CC2CCCC(C2)C1=C1CCC1,0,GDB MedChem
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387157,COCCCc1cc(OC)c(C)c(C[NH3+])c1F,1,GDB MedChem
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286941,C#Cc1nc(C(C)(C)C#N)coc1=O,1,GDB MedChem
327372,C[NH2+]C(CC(C)C)CC(C)O,0,GDB MedChem
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313935,COC1C=CC2=C(C)C=CC3CC3(C)CC21,0,GDB MedChem
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296713,COCC(C)(C)C1(CC(C)(C)C)CC1C,0,GDB MedChem
81841,C[NH2+]CC1(CC[NH3+])COCc2ccccc21,0,GDB MedChem
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366374,CC1(C)CCCCCC=C1C[NH3+],0,GDB MedChem
187041,CC12COC(=O)C(=O)CNC1C2,1,GDB MedChem
170760,C=C(C#CCO)C1(C(C)=CC)CC1,0,GDB MedChem
96171,CC(CC#N)C1C2COC21C,0,GDB MedChem
111224,C#CC1C2=CC=CC(C)=CC[NH+]1CC2,0,GDB MedChem
101815,CC=C(CO)C(C)(C)C(=O)CC#N,0,GDB MedChem
287089,C#CC(=Cc1cc(N)ns1)C1CC1,0,GDB MedChem
224917,CCCCC1(CC)CCCC(CC)[NH2+]C1C[NH3+],0,GDB MedChem
69384,COCCC1[NH2+]CC2CC=CCC(O)C21,0,GDB MedChem
315628,COC(C)C1=CNC(=[NH2+])NCC1N,0,GDB MedChem
82207,C#CCC1CC[NH+]1CCCC1COC1,0,GDB MedChem
41240,CC1C=CC23C=CCC2=CC([NH3+])C3CO1,0,GDB MedChem
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309874,CCC1C(C(=O)C(C)O)C1(C)O,1,GDB MedChem
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139247,C[NH2+]CCC(C(=O)COC)C(C)(C)CO,0,GDB MedChem
358786,CC1CC2CC1(C)C(=O)O2,1,GDB MedChem
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365273,CC1[NH2+]CC12CCCC2CO,0,GDB MedChem
158099,C#CCC(NC(N)=[NH2+])C1(CC)CC[NH2+]C1,0,GDB MedChem
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175072,O=CN1C=CC2CC3=CCC(CC1)C32,0,GDB MedChem
166982,C#CC(=O)C1C(C[NH2+]C)C(C)CC1(C)[NH+](C)C,0,GDB MedChem
154116,C#CC1CNC1(CO)C[NH2+]C,0,GDB MedChem
210882,CCCC(C)(CCC)CC1(C)CCCCC[NH2+]1,0,GDB MedChem
357946,C#CC1C=CCC2CC=C(C)CC(=C1)C2,0,GDB MedChem
149519,C=CC(=CC1C[NH2+]C1CO)C(C)=NO,0,GDB MedChem
339526,CCCC12CC(C[NH2+]1)C(C)CCCCC2CC,0,GDB MedChem
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205376,CCNC(=O)Cc1cc([O-])c(N)s1,0,GDB MedChem
196140,CN(CCC1CC([NH3+])CC(C(=O)[O-])[NH2+]1)C(N)=[NH2+],0,GDB MedChem
115658,CC1CCCC(C)C(C)(C)CCC(C#N)OC1,0,GDB MedChem
38026,NCC1[NH2+]CC2CC2C1CO,0,GDB MedChem
389255,C#CC1=CCC(C)=CCC(C)(C)C1=O,0,GDB MedChem
1158,CC1(N)COCC1[NH2+]CCC1CC1[NH3+],0,GDB MedChem
360073,CCOC1CC1([NH2+]C)C(CC)CC(N)=O,0,GDB MedChem
43408,CCCc1ccc2n1C(C)(CCC(C)C)C2,0,GDB MedChem
192806,O=C1OCC2CC(CO)[NH2+]CC3CCC3N12,0,GDB MedChem
253146,CC1C=CC=C2C(C[NH3+])CC2O1,0,GDB MedChem
314892,C#CC1C=C(CO)C=CC(O)C2COC1O2,0,GDB MedChem
194074,CCc1c(CO)nc(C)c2cc(C)oc12,1,GDB MedChem
138295,C[NH2+]C12CCN(CC1O)C2C,0,GDB MedChem
259861,C#Cc1cc2c(n1C1CC1)COCCC=C2,1,GDB MedChem
127578,CC1OC(CC(N)=O)C2C(=O)NC12,0,GDB MedChem
76246,CC1c2cc(O)c(N)c(c2)OCCCCC1[NH3+],0,GDB MedChem
32840,C#CCC1=CC2CCCC2C1C(C)[NH3+],0,GDB MedChem
391958,CC1=CC(=O)C2CC23C=CC1C3,1,GDB MedChem
75970,CC#CC1=C(C)COCCC(C)(CC)C1,0,GDB MedChem
166984,CC=C(C)COCC(C=C(C)C)=NO,1,GDB MedChem
202235,C#CCCC1CCCCCCC(C)([NH3+])C1CC,0,GDB MedChem
301091,CCC1CC2CCC(C#N)C(=O)COC2O1,1,GDB MedChem
244229,CCNc1nc(CC)c(CC(O)CC)o1,1,GDB MedChem
78196,C[NH2+]CC1(C)CC2=C(C[NH2+]C2)C1,0,GDB MedChem
192388,C=C1CC2C3CCC12[NH2+]CC=C3C,0,GDB MedChem
45519,CN(C=O)c1csc([O-])c1,0,GDB MedChem
314013,CC1OC(C(O)CO)OC1C[NH+](C)C,0,GDB MedChem
377447,C=C1CC(C[NH3+])NC1C1(O)C[NH2+]C1,0,GDB MedChem
245379,CC1C([NH3+])C2CC(CN(C)C=O)N1C2(C)C,0,GDB MedChem
207189,CC(C)c1cc2c([nH]1)C(C)CC(C)(C)C2,0,GDB MedChem
62865,C#CC1(O)C2C=CC(=O)NCC1CCC2,1,GDB MedChem
14553,CC1=CC=CC=C(C(C)(C)C)C=C(CO)C1,0,GDB MedChem
42885,CC1(C)COC2CC([NH3+])C2N1,0,GDB MedChem
389280,CC(C)C1(CS(C)(=O)=O)C2COCC21,0,GDB MedChem
294841,C#CC(C)[NH2+]CCC1(C)CCc2cocc2C1,0,GDB MedChem
171687,CC1C[NH+](C)CC=C(C[NH3+])CN1,0,GDB MedChem
105195,C#CC[NH2+]CC1CCC(C)C(CCO)C1OC,0,GDB MedChem
268900,N#CC1=CC2C=CCC([NH3+])C1N2,0,GDB MedChem
366118,CC1(C)OCC=CC1CC[NH3+],0,GDB MedChem
123131,CC([NH3+])CC[NH2+]C1CNC(=O)C1,0,GDB MedChem
275252,COCC1=C(C(C)=O)CC2CCCC=C12,0,GDB MedChem
189551,CC1=CCC2=C(C)C3(CCC#N)CC3C12,0,GDB MedChem
238951,CC1C=CCC2[NH2+]CCC2C1(C)C,0,GDB MedChem
141249,C=CC1([NH3+])CC=CC2C([NH3+])C2OC1,0,GDB MedChem
270701,CCC1(C)C[NH2+]CCC2CCCCC[NH+]2C1C,0,GDB MedChem
265716,C=CCC([NH3+])C(=C)C1=C(C)C=CC1,0,GDB MedChem
311240,C#CC1COC(CC(O)C(C)C[NH2+]C)CC1=O,0,GDB MedChem
183744,CC1C2C=CCCC3CCC=C(C#N)C312,0,GDB MedChem
133085,C#CC(CC)c1nc(CCO)nn1CC#N,0,GDB MedChem
110411,CCC(CC)CC#CC1CCC1,1,GDB MedChem
272671,CC1(C)C=C(C[NH3+])CCC[NH2+]CCC1[NH3+],0,GDB MedChem
346649,C[NH+]1CCC#CC2COCC2=CC(=NO)C1,0,GDB MedChem
12625,CC[NH+](CC1C2C=CC1C=C2)CC1(C)CC1,0,GDB MedChem
395898,CN1CC=C(C(C#CC#N)CO)S1(=O)=O,0,GDB MedChem
353507,CC[NH2+]CCC[NH2+]C(C)(C)C1CCCC1CC,0,GDB MedChem
253330,C#CCn1nccc1NC1CC1,1,GDB MedChem
78268,CCc1csc(C2=CCC(=O)OC2C[NH3+])n1,0,GDB MedChem
228965,C=Cc1cn(C2C(O)C2OC)cn1,0,GDB MedChem
109451,CC1=CCCC2(COC2)C1O,0,GDB MedChem
96653,[NH3+]C1CC(O)C(O)C[NH2+]Cc2ccnn2C1,0,GDB MedChem
164043,CC1=C(C)CC=C2C(C=C1)CC1C(C)OC21,0,GDB MedChem
211400,CCCC1CC(C)OCC(C)CC(C)(C)CO1,1,GDB MedChem
390368,CCC1CCC(=O)CC1C1C2CCCC1CC2,0,GDB MedChem
326546,CC=CC1=CC(C2(C)CC2C)CC1,0,GDB MedChem
280172,CC(=O)CC1CCC(O)CN2CC1C(=O)C2C,0,GDB MedChem
162003,C#CC(C)(C)CCCCC(C)(C)CCCOC,1,GDB MedChem
183814,COC1CC=C(C)CC(C)=CS(=O)(=O)C1,0,GDB MedChem
98114,CC1=C(C)C2C[NH2+]C2(C2CCCC2[NH3+])C1,0,GDB MedChem
5657,CCC1CC2C([NH3+])CNCC2(N)C(=O)N1CC,0,GDB MedChem
195875,C[NH2+]Cc1cscc1C(O)Cc1nonc1C,0,GDB MedChem
71838,CC(C#CC(=O)N1CC([NH+](C)C)C1C)C[NH3+],0,GDB MedChem
216765,C#CCc1cc(COCC)ns1,1,GDB MedChem
232884,O=C1CC2=CC[NH2+]C2C(O)CN1,0,GDB MedChem
256275,CCC(C)CC12C=C(C)CN1C(C[NH2+]C)C2,0,GDB MedChem
137475,CCC(=O)C1NCC(=O)C=C(N)C1(C)CO,0,GDB MedChem
195869,C[NH2+]C(C)c1ncc(C(N)C#N)[nH]1,0,GDB MedChem
18185,C#CC1C=CCCC2=C(C)C(=O)CN21,0,GDB MedChem
237508,CC1C(NC(N)=[NH2+])CC1C1(C)CCO1,0,GDB MedChem
144190,CCC(C(N)=O)C(O)COCC1CC1[NH3+],0,GDB MedChem
184419,CCC(O)C1C([NH3+])COC1C,0,GDB MedChem
34489,C#CC1=C(C[NH2+]C)C=CC=C2C1CC1CC21,0,GDB MedChem
319091,C#CC1OC(CC)(OC)C[NH2+]C2CC21,0,GDB MedChem
160544,C[NH2+]C1COC(CC(=O)[O-])C1,0,GDB MedChem
38347,Cn1c(N)cc(OC2C=CC[NH2+]C2)c1N,0,GDB MedChem
228956,CCc1coc(C)c1N(C)C,1,GDB MedChem
228061,CC1=C2C[NH2+]C3C=CC(N(C)C)C23C[NH2+]C1,0,GDB MedChem
236914,CCC1C=Cc2cc([O-])sc2C(C)=C1,0,GDB MedChem
245594,CCC(C)([NH3+])C1C(C)C1[NH2+]C,0,GDB MedChem
96154,[NH3+]C1CCCc2ccc(O)c(F)c2C1,0,GDB MedChem
219201,C1=CC2C=CC1C2CC1C[NH2+]C1,0,GDB MedChem
187079,CCCCC1(C[NH+](C)CC)CC=CC1,0,GDB MedChem
81244,CCC1CNC12CC([NH3+])CC=C2C#N,0,GDB MedChem
279538,C[NH2+]C1CC=CCC#CCCC1,0,GDB MedChem
110010,COC(CO)CCCCO,1,GDB MedChem
111803,C#CC(C)c1ccc(F)c(OC)c1C[NH+](C)C,0,GDB MedChem
266991,C1=Cc2cccc3c2C1=CCN3,1,GDB MedChem
48910,C#CC(CCC(C)O)C1C=CC([NH3+])C1,0,GDB MedChem
193405,CCC[NH+](C(C)CC)C(C)C(C)C(C)[NH2+]CC,0,GDB MedChem
26527,CCC1CCC(C)(C(C)c2ccco2)[NH+](C)C1,0,GDB MedChem
339524,CCC1=CC2C(N)C2([NH3+])CCCC=C1C,0,GDB MedChem
38035,C1=CC(=C2C[NH2+]C23CC3)CC1,0,GDB MedChem
146205,CC1C=C2C(=CCC2CO)C1,0,GDB MedChem
331362,CC#CCNS(=O)(=O)C1CN(C)C1,1,GDB MedChem
285393,O=C1CCC2(CC[NH2+]2)C(=NO)C1,0,GDB MedChem
83388,CCCCC1(C)CC(C)CC(C)C(CCO)O1,0,GDB MedChem
63298,CCCN1CC([NH3+])C(N)C1C(N)C#N,0,GDB MedChem
97648,CCC(C)CCC(O)C(C)[NH3+],1,GDB MedChem
330466,C=CCS(=O)(=O)CC#CCOCCO,1,GDB MedChem
81999,C[NH+]1CC(CC(=O)C2(CO)COC2)C1,0,GDB MedChem
278327,C#CC1CCC(CC)[NH2+]C1C(CC)(CC)CC,0,GDB MedChem
93953,CC1OCC([NH3+])C1C(C#N)C1CC1,0,GDB MedChem
4413,CCC1([NH3+])CC(C)C=C2CCC21,0,GDB MedChem
348286,C#CC1NC(CC)(C[NH3+])C=CC1CC,0,GDB MedChem
268946,C#CC1CC(C)(O)C1OCC,0,GDB MedChem
169590,C#CC1(CC(=O)[O-])CCC1C(C)(C)O,0,GDB MedChem
130794,C#CC1(NC(=O)C(C)C(=O)[O-])CC1O,0,GDB MedChem
352447,C[NH+](C)C1C(C[NH3+])C2CC21C,0,GDB MedChem
71866,C#CCCC(C)(C)CCCC(C)(C)C[NH2+]CC,0,GDB MedChem
53572,COC1OCC=C(C)CN(C=O)C1C[NH3+],0,GDB MedChem
322503,Cc1cccc(CC2NC(C#N)C(C)C2C)n1,0,GDB MedChem
268211,CC1=CC([NH3+])C=C2CC([NH3+])C2C=CCCC1,0,GDB MedChem
81839,C#CC(C)(CC[NH+](C)CC)C(=O)C(C)C(C)C,0,GDB MedChem
135535,CC12C=C(CC#CC=CC1)C[NH2+]2,0,GDB MedChem
109934,Cc1nc(CCC(C)C)ns1,1,GDB MedChem
29897,CC1=CC2C(C)CC1C2C[NH3+],0,GDB MedChem
171690,C#CCC1=C(CCO)C(C)CC1,0,GDB MedChem
28847,CCC1(CC)C=CC(C(=O)[O-])C1CC#N,0,GDB MedChem
63982,NC1C([NH3+])C=C(CCCO)C2=CC[NH2+]C21,0,GDB MedChem
240315,CC1CC[NH2+]C1COC(C)C1CCO1,0,GDB MedChem
239659,C#CCC1(OC)C=CC(=O)C1,1,GDB MedChem
286028,COC1C(=O)NCCC12OCC=CCC2O,0,GDB MedChem
14902,O=c1c2cocnc-2cc2cc(F)ccc12,0,GDB MedChem
299785,[NH3+]CC1NC2CCOC2C1C[NH3+],0,GDB MedChem
289678,CCC1C(C)=CC2C1CC(C)[NH+]2CC,0,GDB MedChem
224907,CC1NC(=O)C2(CC2)C([NH3+])CC1[NH3+],0,GDB MedChem
273606,CC1OC(C[NH3+])C(O)C1[NH3+],0,GDB MedChem
306534,CCCC(C#N)C1=CCCC1CCC,1,GDB MedChem
344067,C=C1NC(=O)C(=O)CNC1COC,0,GDB MedChem
154604,CC(=O)N(C)CC1(C)CCOCC1,1,GDB MedChem
218687,CCCN1C(=O)C2COCOCC([NH3+])C21,0,GDB MedChem
269945,C=CC1(O)CC(NC(N)=O)=CC1=O,1,GDB MedChem
209990,CC([NH3+])CC1CC[NH2+]CCC(C(=O)[O-])OC1C,0,GDB MedChem
236502,CC1=C(S(C)(=O)=O)C2CC2C(CNC=O)C1,0,GDB MedChem
226094,O=CNCC1C(=O)C([NH2+]CCCCO)C1O,0,GDB MedChem
339906,OCc1cc(CC2=CCOC2)ncn1,0,GDB MedChem
381003,CCC#CCC1[NH2+]C2CC3C[NH2+]CCC1=C32,0,GDB MedChem
192436,CC#CC(=O)COC(C)(C)C1(C)CCC1,1,GDB MedChem
359725,C=C1CCCC2C=CC(CC)C12[NH3+],0,GDB MedChem
89599,CC(C)n1ccnc1C1(C)CC=CC1,1,GDB MedChem
110877,CC[NH2+]C1(CN)COCCC1O,0,GDB MedChem
223033,CCC(C)(C)C(C)C1CC1,1,GDB MedChem
66385,OCc1cocc1C1CC=CC1,1,GDB MedChem
50698,COc1c(CC[NH3+])n[nH]c(=O)c1COCC[NH3+],0,GDB MedChem
221856,CN=c1cc(C#N)oc2c1C(=NO)C=CCO2,0,GDB MedChem
314626,CC1CCOCCC(C)[NH+]2CC=C1C2,0,GDB MedChem
192459,CC[NH2+]CCCCOC(N)=O,1,GDB MedChem
68837,CC1=CCOC(=O)C=C(C2COC2C#N)C1,0,GDB MedChem
58151,CCN1CC([NH3+])(COC)C1=O,1,GDB MedChem
27709,Cc1ccc(Nc2cnco2)o1,0,GDB MedChem
49878,C#CC1([NH+](C)C2CC2)CC2CC=CC1C2,0,GDB MedChem
292619,CCC1C(O)CC1(O)CNc1cnco1,1,GDB MedChem
216791,CC(C)[NH+]1CC2(CC=C(C#N)C2C)C1,0,GDB MedChem
34000,CCn1nnc(C#N)c1C(=O)OC1CC1,1,GDB MedChem
327445,C#CC1CC(C)(Cn2ncccc2=O)O1,1,GDB MedChem
87175,C=C1C(C=CC)=CC(CCC)=C1C,0,GDB MedChem
294168,CC#CC1CC(C#N)=CC[NH+](C)CC(O)C1,0,GDB MedChem
206092,N#CC=CC1=CC=CC(O)(CO)C1,1,GDB MedChem
16183,C#Cc1cccc2c1CC=CC(O)C=C2C,0,GDB MedChem
267432,CN1CCC1C(C)([NH3+])C1(CCO)CC1,0,GDB MedChem
35179,CC1[NH2+]C2CCC(=O)C(OC2)C1C(N)=O,0,GDB MedChem
268786,C[NH2+]CC(C)C[NH+]1CC(C)C1,0,GDB MedChem
37750,CC1C(=O)OCOC1CC#N,1,GDB MedChem
353605,CC1[NH2+]C2CC12NC1CC1,0,GDB MedChem
69726,Cc1coc(CCCC#N)c1,1,GDB MedChem
307323,CC#CC[NH2+]C1C2C=CC1C=C2,0,GDB MedChem
47937,C#CCC(C)[NH+]1CC2(COC)CC(CC)C1C2,0,GDB MedChem
85794,C=C1C(C)C=C2CC3C(C)OCC123,0,GDB MedChem
109627,CCOCC1=CCC=CCCC(=O)C1,0,GDB MedChem
10861,O=c1ccocc1C(O)c1ccsn1,1,GDB MedChem
176028,CCC(C)([NH3+])C(O)C1(C)CC1C,0,GDB MedChem
292586,CC1COCCN(C)CC([NH3+])CNC(=O)OC1,0,GDB MedChem
219284,C#Cc1cc(C)c[nH]c1=[NH2+],0,GDB MedChem
264199,CCC1(CC(C)[NH3+])NC(=O)OCC1CO,0,GDB MedChem
170390,CC1(C2OC3C([NH3+])C3O2)CC[NH2+]1,0,GDB MedChem
373311,CCC1=CC=CC(C)CC[NH2+]C1,0,GDB MedChem
134116,C=CC1C[NH+](CC(C)(C)OCC)C1,0,GDB MedChem
204134,Cc1cccc2c1CC(CCCO)C2C(C)C,0,GDB MedChem
248047,CCCNC(=O)CC1(CC)OCOC(C)C1O,1,GDB MedChem
165824,CC([NH3+])(CCO)C(C#N)NC1CC1,1,GDB MedChem
258921,CCC(CC)(CC)CC1C[NH2+]C1,0,GDB MedChem
366383,C=C(C)C(=C)CC1CN(C)C(N)=[NH+]1,0,GDB MedChem
76909,N#CC1CC12CC(=O)OC1C(=O)CC12,0,GDB MedChem
315950,CCOC1(CO)CC(C)C2CC21,1,GDB MedChem
228996,CC#CC1CC2[NH+](CC)CCC12O,0,GDB MedChem
327418,C[NH2+]CCC1(C[NH3+])C=CCCN1C,0,GDB MedChem
78269,CCN1C(=O)CCCC=C1C,1,GDB MedChem
47005,CC(=O)CC(O)C1=CC(C)C(C)CC(O)C1,0,GDB MedChem
301044,CC1=C2CC=CCOC1C(C)CC2,1,GDB MedChem
183690,CC1=CC=Cc2c[nH]c3[nH]cc(c23)C=C1,0,GDB MedChem
362478,NC(=O)CC1C(N)CNCC2CC[NH+]21,0,GDB MedChem
92951,C#CC(C)(NC=O)C(C)=NO,1,GDB MedChem
371622,CCc1cc(OC)c2cccn(C3CC3)c1-2,1,GDB MedChem
389277,CC(C)(O)Cn1cc(C(C)(C)C#N)ccc1=O,1,GDB MedChem
275808,CC(C)c1cnc(CC#N)nc1,1,GDB MedChem
294859,CC1(CC2CCCC2)CCC1,1,GDB MedChem
169768,CC1(O)CNC(=[NH2+])NCC2=CCOC21,0,GDB MedChem
245343,O=C1NC(CO)CC2CC(CO2)N1,0,GDB MedChem
42359,Cc1cc(CC([NH3+])CCC(C)C)c[nH]1,0,GDB MedChem
394645,CC#CC([NH3+])C(=O)NCCC(C)(C)C,1,GDB MedChem
38350,COC1CC(C)(C(O)C(C)O)C1,1,GDB MedChem
362496,CC(C[NH3+])C12OCCOC1C2[NH3+],0,GDB MedChem
94079,CC(C)(C)CC(C)(C[NH3+])CCC1CCCCC1,0,GDB MedChem
3091,COCCC1CC1NCC#N,1,GDB MedChem
51636,C#CC1C[NH2+]C2(COC(CCCC)CC2=O)C1,0,GDB MedChem
251562,CC(=O)C1=C(C2CC2)C(=O)NC1=O,0,GDB MedChem
111193,CCOCC1([NH2+]C)C=C(C)C2CC21,0,GDB MedChem
104907,CCC[NH+]1C(C)CCC2(C)CCC1CC(C)[NH2+]2,0,GDB MedChem
219010,CC1C2C=C(C#N)C(C2)C1C,0,GDB MedChem
349361,N#CC1(N)CC(=C2CCOC2)C=C1C[NH3+],0,GDB MedChem
128139,C#CCC1(C)C=CC=C(CC)CC(C[NH3+])C1,0,GDB MedChem
18459,CCC1C(C)CC2(CCNCC#N)[NH2+]CCC12,0,GDB MedChem
127571,[NH3+]C1C2=CC(=O)NC2COCOC1CO,0,GDB MedChem
227809,C[NH2+]C1C2C(O)CC12CCO,0,GDB MedChem
396010,CC#CC(C)(C)OCC1CC(C)(CO)C1,1,GDB MedChem
224914,CCC1=C(C2CCO2)C(CC[NH3+])[NH2+]C(C)C1,0,GDB MedChem
170901,CCC1CCC=CC(C)C=CCC1=O,1,GDB MedChem
14246,Cc1coc(C(C)[NH3+])c1C#N,0,GDB MedChem
194322,C[NH2+]C(C)CNc1ccn[nH]1,0,GDB MedChem
278343,CCC([NH3+])C1C([NH3+])C1(C)CO,0,GDB MedChem
116900,C#CC([NH3+])CCC1CC2CC12,0,GDB MedChem
36554,Cn1nc(N)cc1OCC[NH2+]CC1COC1,0,GDB MedChem
116714,C#CC(=O)C(=O)CC1CC(O)CC1C#N,0,GDB MedChem
292396,CC(=O)C1=C(CO)C23C(CCC2C3C)C1,0,GDB MedChem
178438,CC1CC(C)(C=C(C#N)C(C)C)C1,1,GDB MedChem
122635,CCC1CC2(CCCCC2O)C1,1,GDB MedChem
361497,CC#CC1(CC[NH2+]C2CCC2)CCO1,0,GDB MedChem
240904,C=C1CC2CC=CC3CC([NH3+])C32C1,0,GDB MedChem
117754,COC1(C)COC(=O)C1C#N,1,GDB MedChem
171971,CCc1cccc(C2=CCc3cccn32)c1,0,GDB MedChem
107112,CCCC1(CC)C2CCCC1[NH+](CC(C)C)C2,0,GDB MedChem
103974,CC([NH3+])C(C)N1C=CCC1=O,0,GDB MedChem
310723,COc1ccc(OCCO)cn1,1,GDB MedChem
113875,CC1CCCC2CCC([NH2+]2)C([NH2+]C(C)C)CC1,0,GDB MedChem
202230,CC1=C2C(C#N)NC2C=CCC1,0,GDB MedChem
287583,C[NH2+]C1(C)C=C2C(C)=CC(=O)C2C1,0,GDB MedChem
212463,CC=CC(O)CCC1C(C)C1C#N,0,GDB MedChem
164886,CC=CC(C)=C1NC(=[NH2+])NC1(C)C,0,GDB MedChem
82698,CC(C1CC1)C1(S(N)(=O)=O)C(C)C1[NH3+],0,GDB MedChem
40636,C[NH+]1CCCCNc2cnc([nH]2)OCC1,0,GDB MedChem
118340,C#CC1OCCC=C1C1CC1,0,GDB MedChem
137634,CNc1cccs1,1,GDB MedChem
58860,CC(C1=CC[NH2+]CC1)[NH+](C)C,0,GDB MedChem
381320,CN1C2=C(CS1(=O)=O)C(CO)=CC=CC2O,0,GDB MedChem
285290,CCC1CC(O)CCCCC1[NH3+],0,GDB MedChem
109634,CC1=C2C=CC3CC([NH3+])CC23CC1C,0,GDB MedChem
283535,O=C1CC2CC[NH2+]CC[NH2+]C2C1,0,GDB MedChem
131780,CC1=C(C)Cc2ccoc2C[NH+](C)CC1,0,GDB MedChem
307375,CCOC1CC2(O)CC[NH+](C)C1C2C(C)(C)C,0,GDB MedChem
57366,CCCC(C)C(C#N)C(CC(C)C)CC(C)C,0,GDB MedChem
190982,C#CC1C=CCCC2CC2C1[NH3+],0,GDB MedChem
51143,CC1CC2CCC2(C(O)C[NH3+])C[NH2+]1,0,GDB MedChem
59519,CC1=CC2[NH2+]CCC(=O)C=C2C(=O)C=CC1,0,GDB MedChem
350627,C=C(CC[NH3+])C(O)CC1=CCOC1,0,GDB MedChem
93969,C#CCC1CC2CC[NH2+]CC(N)(C2)C(C#N)C1,0,GDB MedChem