smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/C(=C\c1nsc([N-]c2ccc(Cl)cc2Cl)n1)NCc1ccccc1	ZINC000005909407	220906789	/nfs/dbraw/zinc/90/67/89/220906789.db2.gz	NFQCKVBIKGVEPF-FMIVXFBMSA-N	-1	3	391.327	5.739	10	0		GKAEHM
O=C(Nc1ccc(Cl)cc1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1	ZINC000001515404	570264404	/nfs/dbraw/zinc/26/44/04/570264404.db2.gz	AZXVSUNTLIKEHZ-UHFFFAOYSA-N	-1	3	395.871	5.966	10	0		GKAEHM
[O-]c1cc(O)ccc1-c1nn(-c2cc(Cl)ccc2Cl)c2cc(O)ccc21	ZINC000013586330	209233952	/nfs/dbraw/zinc/23/39/52/209233952.db2.gz	IBLLLKQXGNGZHT-UHFFFAOYSA-N	-1	3	387.222	5.116	10	0		GKAEHM
CCCCCc1c(-c2ccc(F)cc2[O-])c([C@@H](C)O)c(C(C)C)nc1C(C)C	ZINC000013860563	207002998	/nfs/dbraw/zinc/00/29/98/207002998.db2.gz	XCYKIBDRZZPFII-MRXNPFEDSA-N	-1	3	387.539	6.626	10	0		GKAEHM
[O-]c1cc(O)c(-c2ccnn2-c2ccccc2Cl)cc1Sc1ccccc1	ZINC000090711712	212150871	/nfs/dbraw/zinc/15/08/71/212150871.db2.gz	ACUUQZVDBLZXME-UHFFFAOYSA-N	-1	3	394.883	5.755	10	0		GKAEHM
CC(C)(C)CCn1nc(-c2ccc(O)cc2[O-])c2cccc(C(F)(F)F)c21	ZINC000504206360	527678409	/nfs/dbraw/zinc/67/84/09/527678409.db2.gz	MRQUSXQYLNLJJX-UHFFFAOYSA-N	-1	3	378.394	5.570	10	0		GKAEHM
CC(C)(C)CCn1nc2c(cccc2C(F)(F)F)c1-c1ccc(O)cc1[O-]	ZINC000504206316	527678553	/nfs/dbraw/zinc/67/85/53/527678553.db2.gz	HGWWSRNSAWNHPO-UHFFFAOYSA-N	-1	3	378.394	5.570	10	0		GKAEHM
COc1cc([O-])c(-c2cc3ccc(O)cc3o2)cc1C/C=C(\C)CCC=C(C)C	ZINC000101773771	570831314	/nfs/dbraw/zinc/83/13/14/570831314.db2.gz	JJJOOKQRYNKWSL-CAOOACKPSA-N	-1	3	392.495	6.755	10	0	biogenic	GKAEHM
Cc1c([C@H](C)NCc2ccc([O-])c(Cl)c2)cnn1-c1cccc2ccccc21	ZINC000012590802	221211874	/nfs/dbraw/zinc/21/18/74/221211874.db2.gz	QNDVWDWMDODNAU-HNNXBMFYSA-N	-1	3	391.902	5.544	10	0		GKAEHM
Cc1c([C@@H](C)NCc2ccc([O-])c(Cl)c2)cnn1-c1cccc2ccccc21	ZINC000012590794	221210920	/nfs/dbraw/zinc/21/09/20/221210920.db2.gz	QNDVWDWMDODNAU-OAHLLOKOSA-N	-1	3	391.902	5.544	10	0		GKAEHM
CC(C)(C)OC(=O)n1c2ccccc2c2c1ccc(OCc1ccccc1)c2[O-]	ZINC000504015305	526535434	/nfs/dbraw/zinc/53/54/34/526535434.db2.gz	VUXZSDVLKNOBFJ-UHFFFAOYSA-N	-1	3	389.451	5.862	10	0		GKAEHM
[O-]c1cc2c(Cl)cc(CO)cc2cc1Oc1cccc2cc(Cl)cnc21	ZINC000006094462	209233425	/nfs/dbraw/zinc/23/34/25/209233425.db2.gz	JLLPFTPHTNXAHD-UHFFFAOYSA-N	-1	3	386.234	5.685	10	0		GKAEHM
CCCCCc1c(-c2ccc(F)cc2[O-])c([C@H](C)O)c(C(C)C)nc1C(C)C	ZINC000013860564	207002193	/nfs/dbraw/zinc/00/21/93/207002193.db2.gz	XCYKIBDRZZPFII-INIZCTEOSA-N	-1	3	387.539	6.626	10	0		GKAEHM
Cc1cc(C)n2c(nc(-c3c([O-])ccc4ccccc43)c2Nc2ccccc2)n1	ZINC000004903863	570361073	/nfs/dbraw/zinc/36/10/73/570361073.db2.gz	MRWGVQGFKAGVHI-UHFFFAOYSA-N	-1	3	380.451	5.616	10	0		GKAEHM