smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1cccc(Cl)c1Cl	ZINC000100148607	570500205	/nfs/dbraw/zinc/50/02/05/570500205.db2.gz	BRHCXTWZCJKXLT-LCYFTJDESA-N	0	2	364.207	4.851	50	10		FJCALN
O=c1c2ccc(O)c(O)c2oc(C(F)(F)F)c1-c1ccccc1Cl	ZINC000004754955	571072382	/nfs/dbraw/zinc/07/23/82/571072382.db2.gz	OIXWCDRQJHCECJ-UHFFFAOYSA-N	0	2	356.683	4.543	50	10		FJCALN
CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccc(Cl)cc1Cl	ZINC000015930669	211150514	/nfs/dbraw/zinc/15/05/14/211150514.db2.gz	RFZYRNACYBNLHT-ZROIWOOFSA-N	0	2	364.207	4.851	50	10		FJCALN
O=C1N=C(Nc2ccccc2)SC1=Cc1cc(Cl)cc(Cl)c1O	ZINC000006473674	571200242	/nfs/dbraw/zinc/20/02/42/571200242.db2.gz	PHOOBMVLDHLFEV-QPEQYQDCSA-N	0	2	365.241	4.781	50	10		FJCALN
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(C)o3)C2=O)cc1	ZINC000008856336	571063283	/nfs/dbraw/zinc/06/32/83/571063283.db2.gz	LRXFIZNUIIBIHG-ZSAINHDTSA-N	0	2	352.390	4.608	50	10		FJCALN
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Cl)cc1	ZINC000014011211	570801571	/nfs/dbraw/zinc/80/15/71/570801571.db2.gz	VLWYCLRJYNSRKG-NTEUORMPSA-N	0	2	361.184	4.500	50	10		FJCALN
C[N@H+](Cc1nc2ccccc2s1)Cc1c([O-])c(Cl)cc(Cl)c1O	ZINC000012920604	571145280	/nfs/dbraw/zinc/14/52/80/571145280.db2.gz	ZFOKTBRIZKDENH-UHFFFAOYSA-N	0	2	369.273	4.646	50	10		FJCALN
C[N@@H+](Cc1nc2ccccc2s1)Cc1c([O-])c(Cl)cc(Cl)c1O	ZINC000012920604	571145281	/nfs/dbraw/zinc/14/52/81/571145281.db2.gz	ZFOKTBRIZKDENH-UHFFFAOYSA-N	0	2	369.273	4.646	50	10		FJCALN
Cc1[nH]c2ccccc2c1C=C1C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O	ZINC000023411409	136152888	/nfs/dbraw/zinc/15/28/88/136152888.db2.gz	CJAMDTCIPYUWSR-WQRHYEAKSA-N	0	2	373.412	4.600	50	10		FJCALN
Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1-c1cc(C)c2ccccc2n1	ZINC000105143215	222365812	/nfs/dbraw/zinc/36/58/12/222365812.db2.gz	MHGOEPVHLIMGPJ-HTXNQAPBSA-N	0	2	372.453	4.802	50	10		FJCALN
Cc1sc(NS(=O)(=O)c2ccc(Cl)cc2)nc1-c1ccccc1	ZINC000005332467	207094728	/nfs/dbraw/zinc/09/47/28/207094728.db2.gz	YJDDHWKNEPUZRC-UHFFFAOYSA-N	0	2	364.879	4.573	50	10		FJCALN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3c(C)[nH]c4ccccc43)C2=O)cc1	ZINC000020119289	132267553	/nfs/dbraw/zinc/26/75/53/132267553.db2.gz	ZHWJBAMZUHQVTQ-PDGQHHTCSA-N	0	2	373.412	4.545	50	10		FJCALN
CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccc(Cl)cc1Cl	ZINC000100148617	570524366	/nfs/dbraw/zinc/52/43/66/570524366.db2.gz	RFZYRNACYBNLHT-NTEUORMPSA-N	0	2	364.207	4.851	50	10		FJCALN
O=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccc2ccccc2c1	ZINC000006919747	209457866	/nfs/dbraw/zinc/45/78/66/209457866.db2.gz	RKVGLXYSEPDKOU-UHFFFAOYSA-N	0	2	372.496	4.826	50	10		FJCALN
CC(C)(C)c1ccc(-c2csc(NS(=O)(=O)c3ccccc3)n2)cc1	ZINC000002763197	570670103	/nfs/dbraw/zinc/67/01/03/570670103.db2.gz	ZTSABONKJWKXMG-UHFFFAOYSA-N	0	2	372.515	4.908	50	10		FJCALN
O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1ccc2ccccc2c1	ZINC000003362378	571348358	/nfs/dbraw/zinc/34/83/58/571348358.db2.gz	SMVPHQDGCPTAJR-UHFFFAOYSA-N	0	2	366.467	4.764	50	10		FJCALN
O=C1c2ccccc2C(=O)C1c1ccc(Br)c2ccccc21	ZINC000100697810	209216252	/nfs/dbraw/zinc/21/62/52/209216252.db2.gz	GLRXUMBYFBHZAH-UHFFFAOYSA-N	0	2	351.199	4.765	50	10		FJCALN
CCc1cccc2c(C=C3C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c[nH]c21	ZINC000020232626	570913762	/nfs/dbraw/zinc/91/37/62/570913762.db2.gz	RVFINPOBCYQZLQ-WQRHYEAKSA-N	0	2	373.412	4.545	50	10		FJCALN
Cc1cc(C)c(N2C(=O)NC(=O)C(=Cc3c[nH]c4ccccc34)C2=O)c(C)c1	ZINC000019335049	571324383	/nfs/dbraw/zinc/32/43/83/571324383.db2.gz	SKHVIMDLZHYGLA-YVLHZVERSA-N	0	2	373.412	4.600	50	10		FJCALN
CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1cccc(Cl)c1Cl	ZINC000100148610	570524484	/nfs/dbraw/zinc/52/44/84/570524484.db2.gz	BRHCXTWZCJKXLT-UKTHLTGXSA-N	0	2	364.207	4.851	50	10		FJCALN
C[NH+](C)c1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)cc1	ZINC000003634713	571186467	/nfs/dbraw/zinc/18/64/67/571186467.db2.gz	ZZYQBKCWLHGYBM-UHFFFAOYSA-N	0	2	368.864	4.881	50	10		FJCALN