smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c(C)c1	ZINC000005260104	206191010	/nfs/dbraw/zinc/19/10/10/206191010.db2.gz	ZMGKIUVVLSOKQN-UHFFFAOYSA-N	0	1	358.488	4.536	40	10		FJCBMN
CN1C(=O)/C(=C\c2ccc(/N=N/c3ccccc3)cc2O)SC1=S	ZINC000408730441	570681835	/nfs/dbraw/zinc/68/18/35/570681835.db2.gz	QVYFEJWVWUGUQB-CRQMPAQMSA-N	0	1	355.444	4.639	40	10		FJCBMN
CC1=NN(c2ccccc2)C(=O)C1=C(Nc1ccccc1)c1ccccc1	ZINC000102569941	570833643	/nfs/dbraw/zinc/83/36/43/570833643.db2.gz	OFRORPCBQQSJPG-DQRAZIAOSA-N	0	1	353.425	4.933	40	10		FJCBMN
O=c1oc2ccccc2c(-c2cc(O)cc(O)c2)c1C1=CC=CCC1=S	ZINC000071404984	571117976	/nfs/dbraw/zinc/11/79/76/571117976.db2.gz	LUEFMZXJTSSLAZ-UHFFFAOYSA-N	0	1	362.406	4.584	40	10		FJCBMN
Cc1c(C)c(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2	ZINC000085874685	571234144	/nfs/dbraw/zinc/23/41/44/571234144.db2.gz	DOMFEXXCUQKJJT-IVZQSRNASA-N	0	1	355.478	4.516	40	10		FJCBMN
Cc1[nH]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1ccc(F)cc1F	ZINC000408527810	570506877	/nfs/dbraw/zinc/50/68/77/570506877.db2.gz	GMSZGEJYFXGNIA-ZROIWOOFSA-N	0	1	361.779	4.645	40	10		FJCBMN
Cc1c(C)c(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2	ZINC000079191038	571090505	/nfs/dbraw/zinc/09/05/05/571090505.db2.gz	DOMFEXXCUQKJJT-NYHFZMIOSA-N	0	1	355.478	4.516	40	10		FJCBMN
CC(C)CN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)SC1=S	ZINC000409038331	570715188	/nfs/dbraw/zinc/71/51/88/570715188.db2.gz	FHJBTRHCLKXVAG-WCIBSUBMSA-N	0	1	362.303	4.556	40	10		FJCBMN
Oc1ccc(-c2nc(-c3cccnc3)c(-c3ccc(Cl)cc3)[nH]2)cc1O	ZINC000013218737	570775442	/nfs/dbraw/zinc/77/54/42/570775442.db2.gz	XBQFLECFOCZWAR-UHFFFAOYSA-N	0	1	363.804	4.870	40	10		FJCBMN
CC(C)c1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1	ZINC000059135800	571087429	/nfs/dbraw/zinc/08/74/29/571087429.db2.gz	NRHDHRHYPNIJGL-RVDMUPIBSA-N	0	1	368.433	4.621	40	10		FJCBMN
Cc1cc(C=C2NC(=O)NC2=O)c(C)n1-c1ccc(-c2ccccc2)cc1	ZINC000001277489	570764058	/nfs/dbraw/zinc/76/40/58/570764058.db2.gz	FVXIXEVGQBNVLL-DEDYPNTBSA-N	0	1	357.413	4.782	40	10		FJCBMN