smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1cc(=O)[nH]c(NC(=[NH2+])Nc2ccc(S(N)(=O)=O)cc2)n1	ZINC000005995610	181304499	/nfs/dbraw/zinc/30/44/99/181304499.db2.gz	RCPSZDMAYGVNBZ-UHFFFAOYSA-N	1	2	323.338	-0.942	40	30		DBEBLO
Nc1cc(=O)nc(NC(=[NH2+])Nc2ccc(S(N)(=O)=O)cc2)[nH]1	ZINC000005995610	181304501	/nfs/dbraw/zinc/30/45/01/181304501.db2.gz	RCPSZDMAYGVNBZ-UHFFFAOYSA-N	1	2	323.338	-0.942	40	30		DBEBLO
CCS(=O)(=O)N1CCC2(CC1)C(=O)N(CC#N)CC[N@H+]2C	ZINC000096050097	374846807	/nfs/dbraw/zinc/84/68/07/374846807.db2.gz	FLBIQRZJUYXYJJ-UHFFFAOYSA-N	1	2	314.411	-0.532	40	30		DBEBLO
CCS(=O)(=O)N1CCC2(CC1)C(=O)N(CC#N)CC[N@@H+]2C	ZINC000096050097	374846809	/nfs/dbraw/zinc/84/68/09/374846809.db2.gz	FLBIQRZJUYXYJJ-UHFFFAOYSA-N	1	2	314.411	-0.532	40	30		DBEBLO
N#Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCC(=O)N3CC(N)=O)cc1	ZINC000067897675	382667724	/nfs/dbraw/zinc/66/77/24/382667724.db2.gz	DTWQWXYXXDUPLB-KGLIPLIRSA-N	1	2	314.345	-0.545	40	30	biogenic,in-vitro	DBEBLO
N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCC(=O)N3CC(N)=O)cc1	ZINC000067897675	382667725	/nfs/dbraw/zinc/66/77/25/382667725.db2.gz	DTWQWXYXXDUPLB-KGLIPLIRSA-N	1	2	314.345	-0.545	40	30	biogenic,in-vitro	DBEBLO
Cc1c(C#N)c(=O)n(C[C@@H](C)O)c(O)c1CN1CC[NH+](C)CC1	ZINC000019690869	182136807	/nfs/dbraw/zinc/13/68/07/182136807.db2.gz	ISCKLTMNRHYSLJ-LLVKDONJSA-N	1	2	320.393	-0.138	40	30		DBEBLO
COCCC(=O)N1CCC2(CC1)C(=O)N(CC#N)CC[N@H+]2C	ZINC000096077162	374845359	/nfs/dbraw/zinc/84/53/59/374845359.db2.gz	QTCHDUDIEKNSPW-UHFFFAOYSA-N	1	2	308.382	-0.318	40	30		DBEBLO
COCCC(=O)N1CCC2(CC1)C(=O)N(CC#N)CC[N@@H+]2C	ZINC000096077162	374845362	/nfs/dbraw/zinc/84/53/62/374845362.db2.gz	QTCHDUDIEKNSPW-UHFFFAOYSA-N	1	2	308.382	-0.318	40	30		DBEBLO
C=CCN1CC[N@@H+](C)C2(CCN(S(C)(=O)=O)CC2)C1=O	ZINC000096050072	378340398	/nfs/dbraw/zinc/34/03/98/378340398.db2.gz	GZPUVPLFXBHPDR-UHFFFAOYSA-N	1	2	301.412	-0.259	40	30		DBEBLO
C=CCN1CC[N@H+](C)C2(CCN(S(C)(=O)=O)CC2)C1=O	ZINC000096050072	378340406	/nfs/dbraw/zinc/34/04/06/378340406.db2.gz	GZPUVPLFXBHPDR-UHFFFAOYSA-N	1	2	301.412	-0.259	40	30		DBEBLO
Cc1c(C#N)c(=O)n(C[C@H](C)O)c(O)c1CN1CC[NH+](C)CC1	ZINC000019690871	182136335	/nfs/dbraw/zinc/13/63/35/182136335.db2.gz	ISCKLTMNRHYSLJ-NSHDSACASA-N	1	2	320.393	-0.138	40	30		DBEBLO
Cc1c(C#N)c(=O)n(CCO)c(O)c1CN1CC[NH+](C)CC1	ZINC000019683169	182136942	/nfs/dbraw/zinc/13/69/42/182136942.db2.gz	HGFLUFIOQAPIDO-UHFFFAOYSA-N	1	2	306.366	-0.526	40	30		DBEBLO