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@H](NC(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1)c1ccc(N(C)C)cc1	ZINC001478470370	1070001428	/nfs/dbraw/zinc/00/14/28/1070001428.db2.gz	DJNAQOMTFREDHZ-ZDUSSCGKSA-N	-1	0	451.515	1.974	20	10		JDCDRM
CC[C@H](NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)C(=O)N1CCOCC1	ZINC001465635816	1067816160	/nfs/dbraw/zinc/81/61/60/1067816160.db2.gz	SISPWEHXPGGFAO-HNNXBMFYSA-N	-1	0	453.542	1.622	20	10		JDCDRM
CC[C@@H](NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)C(=O)N1CCOCC1	ZINC001465635817	1067816088	/nfs/dbraw/zinc/81/60/88/1067816088.db2.gz	SISPWEHXPGGFAO-OAHLLOKOSA-N	-1	0	453.542	1.622	20	10		JDCDRM
O=C(N[C@@H]1C(=O)NCC12CCOCC2)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC001471802356	1068910424	/nfs/dbraw/zinc/91/04/24/1068910424.db2.gz	PRCIXBCHANRJNN-MRXNPFEDSA-N	-1	0	451.526	1.280	20	10		JDCDRM
O=C(N[C@H]1C(=O)NCC12CCOCC2)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC001471802355	1068910518	/nfs/dbraw/zinc/91/05/18/1068910518.db2.gz	PRCIXBCHANRJNN-INIZCTEOSA-N	-1	0	451.526	1.280	20	10		JDCDRM
C[S@@](=O)CCN1CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)CC1	ZINC001465321470	1067779610	/nfs/dbraw/zinc/77/96/10/1067779610.db2.gz	PPSALUYDXFUYFO-MUUNZHRXSA-N	-1	0	457.599	1.391	20	10		JDCDRM
C[S@](=O)CCN1CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)CC1	ZINC001465321474	1067780201	/nfs/dbraw/zinc/78/02/01/1067780201.db2.gz	PPSALUYDXFUYFO-NDEPHWFRSA-N	-1	0	457.599	1.391	20	10		JDCDRM
C[C@@H](NC(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1)c1ccc(N(C)C)cc1	ZINC001478470369	1070001386	/nfs/dbraw/zinc/00/13/86/1070001386.db2.gz	DJNAQOMTFREDHZ-CYBMUJFWSA-N	-1	0	451.515	1.974	20	10		JDCDRM
O=C(CN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)Nn1c(=O)[n-][nH]c1=O	ZINC001468541605	1068307789	/nfs/dbraw/zinc/30/77/89/1068307789.db2.gz	SNBPECVUVUJVPV-WEVVVXLNSA-N	-1	0	456.303	1.423	20	10		JDCDRM
COc1ccc(N2CCN(C(=O)C[N-]S(=O)(=O)c3c(F)cccc3F)CC2)c(OC)c1	ZINC001470858321	1068818096	/nfs/dbraw/zinc/81/80/96/1068818096.db2.gz	KUXKTXPFHUJWMH-UHFFFAOYSA-N	-1	0	455.483	1.609	20	10		JDCDRM
O=C(NC1CC1)N[C@H]1CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)C1	ZINC001466689900	1067899835	/nfs/dbraw/zinc/89/98/35/1067899835.db2.gz	PULJBRBCPDEFMH-AWEZNQCLSA-N	-1	0	450.542	1.931	20	10		JDCDRM
O=C(NC1CC1)N[C@@H]1CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)C1	ZINC001466689901	1067899916	/nfs/dbraw/zinc/89/99/16/1067899916.db2.gz	PULJBRBCPDEFMH-CQSZACIVSA-N	-1	0	450.542	1.931	20	10		JDCDRM
O=C(CN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)Nn1c(=O)[n-][nH]c1=O	ZINC001468541604	1068308098	/nfs/dbraw/zinc/30/80/98/1068308098.db2.gz	SNBPECVUVUJVPV-UITAMQMPSA-N	-1	0	456.303	1.423	20	10		JDCDRM
COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(Cl)c([O-])c3)CC2)cc1	ZINC001469900563	1068618109	/nfs/dbraw/zinc/61/81/09/1068618109.db2.gz	OZPHNSDHYFUVAD-UHFFFAOYSA-N	-1	0	453.948	1.936	20	10		JDCDRM
CS(=O)(=O)Cc1nnc(C[NH2+]Cc2cc(Br)cc(Br)c2[O-])[n-]1	ZINC001474725943	1069249792	/nfs/dbraw/zinc/24/97/92/1069249792.db2.gz	KOYAKKMVJLCRKI-UHFFFAOYSA-N	-1	0	454.144	1.870	20	10		JDCDRM