smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cn2[nH]cc3c(=O)ncnc2-3)cc1	ZINC000730541805	1076586724	/nfs/dbraw/zinc/58/67/24/1076586724.db2.gz	YAETUMMWLOKRER-KRWDZBQOSA-N	0	2	410.478	1.345	20	10		HDCDLN
CNC(=O)c1cc(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)OC)c3)cs2)cn1C	ZINC000727247867	1076088972	/nfs/dbraw/zinc/08/89/72/1076088972.db2.gz	QUKSSAWFPVBCLL-UHFFFAOYSA-N	0	2	423.476	1.424	20	10		HDCDLN
Cn1nccc1S(=O)(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1	ZINC000727244981	1076089122	/nfs/dbraw/zinc/08/91/22/1076089122.db2.gz	QEIABDOATWZZKW-UHFFFAOYSA-N	0	2	413.506	1.716	20	10		HDCDLN
O=C(Cn1[nH]cc2c(=O)ncnc1-2)NC1CCN(c2ccc(OC(F)F)cc2)CC1	ZINC000730542733	1076596073	/nfs/dbraw/zinc/59/60/73/1076596073.db2.gz	ZYRBEHRWDATEBQ-UHFFFAOYSA-N	0	2	418.404	1.458	20	10		HDCDLN
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F	ZINC000766047697	1074013495	/nfs/dbraw/zinc/01/34/95/1074013495.db2.gz	QTQBFMIBPVBHGA-UHFFFAOYSA-N	0	2	402.425	1.906	20	10		HDCDLN
CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)c1	ZINC000727246568	1076089000	/nfs/dbraw/zinc/08/90/00/1076089000.db2.gz	MOVDQXXGMSSRDE-UHFFFAOYSA-N	0	2	410.502	1.914	20	10		HDCDLN
Cc1cc(C(=O)COC(=O)Cn2[nH]cc3c(=O)ncnc2-3)c(C)n1-c1ccccc1	ZINC000730657257	1076625117	/nfs/dbraw/zinc/62/51/17/1076625117.db2.gz	MKZTXDZUSHWMRN-UHFFFAOYSA-N	0	2	405.414	1.905	20	10		HDCDLN
CCn1cc(S(=O)(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)cn1	ZINC000727251193	1076087034	/nfs/dbraw/zinc/08/70/34/1076087034.db2.gz	OKSBXXTYIBNKSE-UHFFFAOYSA-N	0	2	402.465	1.803	20	10		HDCDLN
CN(C)c1ccc(Cn2nccc2NS(=O)(=O)c2cccc(-n3cnnn3)c2)cc1	ZINC000727359591	1076098163	/nfs/dbraw/zinc/09/81/63/1076098163.db2.gz	UVPAUJUVNDWPIN-UHFFFAOYSA-N	0	2	424.490	1.774	20	10		HDCDLN
C[C@@H]1CN(c2ccc(CNC(=O)Cn3[nH]cc4c(=O)ncnc3-4)cc2F)C[C@@H](C)O1	ZINC000730530812	1076591690	/nfs/dbraw/zinc/59/16/90/1076591690.db2.gz	YIXOLZLITBRXMH-CHWSQXEVSA-N	0	2	414.441	1.140	20	10		HDCDLN
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cn2[nH]cc3c(=O)ncnc2-3)cc1	ZINC000730541808	1076586678	/nfs/dbraw/zinc/58/66/78/1076586678.db2.gz	YAETUMMWLOKRER-QGZVFWFLSA-N	0	2	410.478	1.345	20	10		HDCDLN
C[C@@H]1CN(c2ccc(CNC(=O)Cn3[nH]cc4c(=O)ncnc3-4)cc2F)C[C@H](C)O1	ZINC000730530811	1076591772	/nfs/dbraw/zinc/59/17/72/1076591772.db2.gz	YIXOLZLITBRXMH-BETUJISGSA-N	0	2	414.441	1.140	20	10		HDCDLN
CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)c1	ZINC000727246560	1076089100	/nfs/dbraw/zinc/08/91/00/1076089100.db2.gz	MNDKWPQVKORPPN-UHFFFAOYSA-N	0	2	410.502	1.914	20	10		HDCDLN
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cn2[nH]cc3c(=O)ncnc2-3)cc1	ZINC000731989585	1075587218	/nfs/dbraw/zinc/58/72/18/1075587218.db2.gz	LOFMOZCWXOLVTE-UHFFFAOYSA-N	0	2	408.384	1.728	20	10		HDCDLN
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cn2[nH]cc3c(=O)ncnc2-3)cc1	ZINC000730526375	1076588868	/nfs/dbraw/zinc/58/88/68/1076588868.db2.gz	RJWPALOOOIIWMV-UHFFFAOYSA-N	0	2	406.446	1.959	20	10		HDCDLN
COC(=O)c1cc(-c2csc(NS(=O)(=O)c3cc(C(N)=O)n(C)c3)n2)c[nH]1	ZINC000727247518	1076089024	/nfs/dbraw/zinc/08/90/24/1076089024.db2.gz	ASNGWRWNXMJKFV-UHFFFAOYSA-N	0	2	409.449	1.163	20	10		HDCDLN
C[C@H]1CN(c2ccc(CNC(=O)Cn3[nH]cc4c(=O)ncnc3-4)cc2F)C[C@H](C)O1	ZINC000730530814	1076591546	/nfs/dbraw/zinc/59/15/46/1076591546.db2.gz	YIXOLZLITBRXMH-STQMWFEESA-N	0	2	414.441	1.140	20	10		HDCDLN
COc1ccc(O)c(CNC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)c1	ZINC000734015677	1076290377	/nfs/dbraw/zinc/29/03/77/1076290377.db2.gz	VUSNPAGKVPBDHQ-UHFFFAOYSA-N	0	2	422.488	1.927	20	10		HDCDLN