smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(/C=C/c1cccc(O)c1)N1CCN(CCCNC(=O)c2ccc([O-])c(O)c2)CC1	ZINC000058582143	563145062	/nfs/dbraw/zinc/14/50/62/563145062.db2.gz	UUWDJBQXJFELJP-VMPITWQZSA-N	-1	3	425.485	1.781	1	10		IDCFHM
NC(=[NH2+])c1ccc([O-])c(CN2CC[C@H]([N-]S(=O)(=O)c3cc4ncccc4s3)C2=O)c1	ZINC000003873901	562939223	/nfs/dbraw/zinc/93/92/23/562939223.db2.gz	PQJGWYQPOHCEDO-ZDUSSCGKSA-N	-1	3	445.526	1.365	1	10	in-vivo	IDCFHM
C[NH+](C)CCNC(=O)c1cccc2c1nc1ccccc1c2N[C@@H](CCC(N)=O)C(=O)[O-]	ZINC000005848671	562945195	/nfs/dbraw/zinc/94/51/95/562945195.db2.gz	WZHAPCPAGDAPHU-SFHVURJKSA-N	-1	3	437.500	1.810	1	10		IDCFHM
CN(C)CCNC(=O)c1cccc2c1nc1ccccc1c2N[C@@H](CCC(N)=O)C(=O)[O-]	ZINC000005848671	562945197	/nfs/dbraw/zinc/94/51/97/562945197.db2.gz	WZHAPCPAGDAPHU-SFHVURJKSA-N	-1	3	437.500	1.810	1	10		IDCFHM
O=C(/C=C/c1ccccc1)N1CCN(CCCNC(=O)c2cc(O)c([O-])c(O)c2)CC1	ZINC000058591412	563145524	/nfs/dbraw/zinc/14/55/24/563145524.db2.gz	DNGDNTDZVWDBBB-BQYQJAHWSA-N	-1	3	425.485	1.781	1	10		IDCFHM
NC(=[NH2+])c1ccc([O-])c(CN2CC[C@H]([N-]S(=O)(=O)c3cc4ccncc4s3)C2=O)c1	ZINC000003941833	562939604	/nfs/dbraw/zinc/93/96/04/562939604.db2.gz	WCGRPZYMHYKYHQ-AWEZNQCLSA-N	-1	3	445.526	1.365	1	10		IDCFHM
COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(N4CCOCC4)cc3)NC(=O)[N-]C1=O)C2	ZINC000058584031	563145363	/nfs/dbraw/zinc/14/53/63/563145363.db2.gz	BTJKVNPETLTKDC-QHCPKHFHSA-N	-1	3	436.468	1.223	1	10		IDCFHM
CN(C)CCNC(=O)c1cccc2c1nc1ccccc1c2N[C@H](CCC(N)=O)C(=O)[O-]	ZINC000031895993	563083700	/nfs/dbraw/zinc/08/37/00/563083700.db2.gz	WZHAPCPAGDAPHU-GOSISDBHSA-N	-1	3	437.500	1.810	1	10		IDCFHM
NC(=[NH2+])c1ccc([O-])c(CN2CC[C@H]([N-]S(=O)(=O)c3cc4cnccc4s3)C2=O)c1	ZINC000026652306	563034683	/nfs/dbraw/zinc/03/46/83/563034683.db2.gz	AWWJKLUXUPMJND-AWEZNQCLSA-N	-1	3	445.526	1.365	1	10		IDCFHM
COc1ccc([O-])c([C@@H]2[NH2+][C@@](C)(C(=O)[O-])[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]23)c1	ZINC000036034432	524769583	/nfs/dbraw/zinc/76/95/83/524769583.db2.gz	GUCGBFPPJOURLV-VDNWNZSNSA-N	-1	3	426.425	1.703	2	10		IDCFHM
O=C(/C=C/c1cccc(O)c1)N1CCN(CCCNC(=O)c2cc(O)c([O-])c(O)c2)CC1	ZINC000058592624	563145636	/nfs/dbraw/zinc/14/56/36/563145636.db2.gz	TVPZZEYTFQPFSH-AATRIKPKSA-N	-1	3	441.484	1.487	1	10		IDCFHM
NC(=[NH2+])c1ccc([O-])c(CN2CC[C@@H]([N-]S(=O)(=O)c3cc4ncccc4s3)C2=O)c1	ZINC000002022415	581100973	/nfs/dbraw/zinc/10/09/73/581100973.db2.gz	PQJGWYQPOHCEDO-CYBMUJFWSA-N	-1	3	445.526	1.365	1	10		IDCFHM