smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(OC)nc(NC(=O)[N-]S(=O)(=O)c2ncccc2C(=O)N(C)C)n1	ZINC000001532072	557271436	/nfs/dbraw/zinc/27/14/36/557271436.db2.gz	RTCOGUMHFFWOJV-UHFFFAOYSA-N	-1	1	410.412	0.305	50	30	in-vitro	HCEAMM
COc1cc(OC)nc(NC([O-])=NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1	ZINC000001532072	557271433	/nfs/dbraw/zinc/27/14/33/557271433.db2.gz	RTCOGUMHFFWOJV-UHFFFAOYSA-N	-1	1	410.412	0.305	50	30	in-vitro	HCEAMM
CCOC(=O)c1sc(N=Nc2c([O-])[nH]c(=S)[nH]c2=O)c(C(=O)OCC)c1C	ZINC000001786832	557287799	/nfs/dbraw/zinc/28/77/99/557287799.db2.gz	RKCJKELTTFWIFE-UHFFFAOYSA-N	-1	1	412.449	0.709	50	30		HCEAMM
CCOc1nc(NC)nc(NC(=O)[N-]S(=O)(=O)c2ccccc2C(=O)OC)n1	ZINC000002566361	557356839	/nfs/dbraw/zinc/35/68/39/557356839.db2.gz	ZINJLDJMHCUBIP-UHFFFAOYSA-N	-1	1	410.412	0.813	50	30		HCEAMM
CCOc1nc(NC)nc(NC([O-])=NS(=O)(=O)c2ccccc2C(=O)OC)n1	ZINC000002566361	557356838	/nfs/dbraw/zinc/35/68/38/557356838.db2.gz	ZINJLDJMHCUBIP-UHFFFAOYSA-N	-1	1	410.412	0.813	50	30		HCEAMM
CN(CCC#N)S(=O)(=O)c1ccc2[n-]cc(C(=O)NC[C@@H]3CCCO3)c(=O)c2c1	ZINC000004687675	558898472	/nfs/dbraw/zinc/89/84/72/558898472.db2.gz	FBXKLTICKRRAHO-ZDUSSCGKSA-N	-1	1	418.475	0.971	50	30		HCEAMM
CN(CCC#N)S(=O)(=O)c1ccc2[n-]cc(C(=O)NC[C@H]3CCCO3)c(=O)c2c1	ZINC000004687679	558898455	/nfs/dbraw/zinc/89/84/55/558898455.db2.gz	FBXKLTICKRRAHO-CYBMUJFWSA-N	-1	1	418.475	0.971	50	30		HCEAMM
COC(=O)c1ccc([O-])c(/C=N/N(CCO)C2=NS(=O)(=O)c3ccccc32)c1	ZINC000004705159	558912637	/nfs/dbraw/zinc/91/26/37/558912637.db2.gz	JVFQELQLVIXOCD-YBFXNURJSA-N	-1	1	403.416	0.956	50	30		HCEAMM
C[C@@]1(O)c2cccc(O)c2C(=O)C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])C[C@@H]3C[C@@H]21	ZINC000004879584	557609250	/nfs/dbraw/zinc/60/92/50/557609250.db2.gz	SRPCXEFYFVDUFQ-KBKZQPOHSA-N	-1	1	401.371	0.246	50	30		HCEAMM
O=C([O-])c1ccccc1C=NN=c1nc(N2CCOCC2)[nH]c(N2CCOCC2)n1	ZINC000009057554	571216801	/nfs/dbraw/zinc/21/68/01/571216801.db2.gz	DQKHZCFEBUNREM-DEDYPNTBSA-N	-1	1	413.438	0.689	50	30		HCEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OCC(N)=O)c(OC)c1)CC(=O)N2	ZINC000021785047	518337809	/nfs/dbraw/zinc/33/78/09/518337809.db2.gz	NMEULJUTBRPMEX-NSHDSACASA-N	-1	1	414.443	0.842	50	30		HCEAMM
C#CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OCC(N)=O)c(OC)c1)CC(=O)N2	ZINC000021785050	518337857	/nfs/dbraw/zinc/33/78/57/518337857.db2.gz	NMEULJUTBRPMEX-LLVKDONJSA-N	-1	1	414.443	0.842	50	30		HCEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1	ZINC000032631758	526732529	/nfs/dbraw/zinc/73/25/29/526732529.db2.gz	DCEJRGBZGXAAOQ-UHFFFAOYSA-N	-1	1	420.472	0.480	50	30		HCEAMM
C=CCn1c(Cc2csc(NC(=O)c3cn(C)c(=O)[nH]c3=O)n2)n[n-]c1=S	ZINC000040088592	571158946	/nfs/dbraw/zinc/15/89/46/571158946.db2.gz	ZBGIKNRAZHVJOY-UHFFFAOYSA-N	-1	1	405.465	0.813	50	30		HCEAMM
CCCCNC([O-])=NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000040116196	520554778	/nfs/dbraw/zinc/55/47/78/520554778.db2.gz	QVNGVUDERAHBGQ-UHFFFAOYSA-N	-1	1	405.498	0.700	50	30		HCEAMM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000040116196	520554773	/nfs/dbraw/zinc/55/47/73/520554773.db2.gz	QVNGVUDERAHBGQ-UHFFFAOYSA-N	-1	1	405.498	0.700	50	30		HCEAMM
C[C@@]1(O)c2cccc(O)c2C(=O)C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])C[C@@H]3C[C@H]21	ZINC000059402062	558935311	/nfs/dbraw/zinc/93/53/11/558935311.db2.gz	SRPCXEFYFVDUFQ-QRQWKVQDSA-N	-1	1	401.371	0.246	50	30		HCEAMM
C=CCn1c(=O)[nH]c([O-])c(C2=NN[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c1=O	ZINC000101761799	560800227	/nfs/dbraw/zinc/80/02/27/560800227.db2.gz	SLDONGYVHJFBHJ-NSHDSACASA-N	-1	1	402.407	0.893	50	30		HCEAMM
C=CCn1c(=O)[nH]c([O-])c(C2=NN[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c1=O	ZINC000101761801	560800251	/nfs/dbraw/zinc/80/02/51/560800251.db2.gz	SLDONGYVHJFBHJ-LLVKDONJSA-N	-1	1	402.407	0.893	50	30		HCEAMM
C=CCn1c(=O)[nH]c([O-])c(C2=NN[C@H](c3ccc(OC)c(OC)c3OC)C2)c1=O	ZINC000101761807	560800256	/nfs/dbraw/zinc/80/02/56/560800256.db2.gz	YUPLBDOMUCOSDN-NSHDSACASA-N	-1	1	402.407	0.893	50	30		HCEAMM
C=CCn1c(=O)[nH]c([O-])c(C2=NN[C@@H](c3ccc(OC)c(OC)c3OC)C2)c1=O	ZINC000101761811	560800212	/nfs/dbraw/zinc/80/02/12/560800212.db2.gz	YUPLBDOMUCOSDN-LLVKDONJSA-N	-1	1	402.407	0.893	50	30		HCEAMM
C[C@@]1(O)c2cccc(O)c2C([O-])=C2C(=O)C3=C(O)C(C(N)=O)C(O)=C[C@@H]3[C@@H](O)[C@@H]21	ZINC000102187489	559149549	/nfs/dbraw/zinc/14/95/49/559149549.db2.gz	SOXACHUDEQXQOM-BNFRQZBTSA-N	-1	1	401.371	0.101	50	30		HCEAMM
C[C@@]1(O)c2cccc(O)c2C([O-])=C2C(=O)C3=C(O)C(C(N)=O)C(O)=C[C@@H]3[C@@H](O)[C@@H]21	ZINC000102187494	559149577	/nfs/dbraw/zinc/14/95/77/559149577.db2.gz	SOXACHUDEQXQOM-BJRFAEQRSA-N	-1	1	401.371	0.101	50	30		HCEAMM
C=CCN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C(=O)[N-]C1=S	ZINC000230030455	568802896	/nfs/dbraw/zinc/80/28/96/568802896.db2.gz	MDPRWFAINGJGMW-KSSFIOAISA-N	-1	1	402.432	0.772	50	30		HCEAMM
C=CCN1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C(=O)[N-]C1=S	ZINC000247995222	569057541	/nfs/dbraw/zinc/05/75/41/569057541.db2.gz	MDPRWFAINGJGMW-KBXCAEBGSA-N	-1	1	402.432	0.772	50	30		HCEAMM