smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC1(CC)C(=O)N(C(=O)c2ccc(Cl)cc2)N(C(=O)c2ccccc2Cl)C1=O	ZINC000001648838	562923775	/nfs/dbraw/zinc/92/37/75/562923775.db2.gz	FVOYDEJWHVOVFB-UHFFFAOYSA-N	0	0	433.291	4.366	10	10		IICERN
NS(=O)(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N3C[C@H]1CC=C[C@H]21	ZINC000035337452	527306497	/nfs/dbraw/zinc/30/64/97/527306497.db2.gz	FUJFNZKSUFSRDU-DJIOSBNXSA-N	0	0	449.532	4.137	10	10		IICERN
O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1CNc1ccc(Br)cc1	ZINC000003067870	555884450	/nfs/dbraw/zinc/88/44/50/555884450.db2.gz	XPGASFBUSVAVKO-PXNMLYILSA-N	0	0	449.351	4.449	10	10		IICERN
CCOC(=O)[C@@H](OCC)c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccccc2)c1C	ZINC000040431073	563103629	/nfs/dbraw/zinc/10/36/29/563103629.db2.gz	RSDWFRPCZDPSCL-QHCPKHFHSA-N	0	0	441.549	4.497	10	10		IICERN
CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OCC	ZINC000033337796	520852387	/nfs/dbraw/zinc/85/23/87/520852387.db2.gz	FTGHVTVMQUERGB-AQTBWJFISA-N	0	0	428.535	4.030	10	10		IICERN
NS(=O)(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N3C[C@H]1CC=C[C@H]21	ZINC000035337453	527306131	/nfs/dbraw/zinc/30/61/31/527306131.db2.gz	FUJFNZKSUFSRDU-WPUDHWPRSA-N	0	0	449.532	4.137	10	10		IICERN
O=C1/C(=C\c2ccc(I)o2)SC(=S)N1Cc1ccccc1	ZINC000033322132	526946174	/nfs/dbraw/zinc/94/61/74/526946174.db2.gz	ZCMWHIDGUNYIDU-XYOKQWHBSA-N	0	0	427.288	4.286	10	10		IICERN
CCOC(=O)c1cccc(-n2c(C)cc(/C=c3/sc4nc5ccccc5n4c3=O)c2C)c1	ZINC000033316857	521535525	/nfs/dbraw/zinc/53/55/25/521535525.db2.gz	TVBNMVOPPHSHKS-HYARGMPZSA-N	0	0	443.528	4.041	10	10		IICERN
CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)NC1=S	ZINC000006574807	523675504	/nfs/dbraw/zinc/67/55/04/523675504.db2.gz	SJASCKZHVAIXFJ-OQLLNIDSSA-N	0	0	437.746	4.369	10	10		IICERN
CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3)nn2[C@@H]1c1ccc(N(C)C)cc1	ZINC000054642414	563142200	/nfs/dbraw/zinc/14/22/00/563142200.db2.gz	RWAFMQCEDFJDBF-OAQYLSRUSA-N	0	0	449.580	4.488	10	10		IICERN
CC(=O)N1c2ccc(NN=Nc3ccc4c(c3)N(C)[C@@H](C)CC(=O)N4)cc2NC(=O)C[C@@H]1C	ZINC000008755049	556211016	/nfs/dbraw/zinc/21/10/16/556211016.db2.gz	BUYYLRRXTCBAKH-KBPBESRZSA-N	0	0	449.515	4.048	10	10		IICERN
COC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S	ZINC000001768413	562924544	/nfs/dbraw/zinc/92/45/44/562924544.db2.gz	WYYGNXOXBSZQGA-KAMYIIQDSA-N	0	0	428.373	4.384	10	10		IICERN
CCOC(=O)[C@H](OCC)c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccccc2)c1C	ZINC000040955950	563114668	/nfs/dbraw/zinc/11/46/68/563114668.db2.gz	RSDWFRPCZDPSCL-HSZRJFAPSA-N	0	0	441.549	4.497	10	10		IICERN
COc1ccc(-n2c(C)c(CC(=O)OC(C)C)cc2-c2ccc(S(C)(=O)=O)cc2)cc1	ZINC000045368499	563133211	/nfs/dbraw/zinc/13/32/11/563133211.db2.gz	DIAXEKVKEMBQHV-UHFFFAOYSA-N	0	0	441.549	4.359	10	10		IICERN
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\NC(=O)Nc1cccc(C)c1C	ZINC000013633588	556540111	/nfs/dbraw/zinc/54/01/11/556540111.db2.gz	HMDNLXOXDYFDMN-BOPFTXTBSA-N	0	0	427.302	4.494	10	10		IICERN
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1	ZINC000033458150	520633701	/nfs/dbraw/zinc/63/37/01/520633701.db2.gz	UVDOZLLCUFYVNR-UNOMPAQXSA-N	0	0	442.562	4.242	10	10		IICERN
O=C(/C=C\c1ccc(F)cc1)NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000035304244	527654990	/nfs/dbraw/zinc/65/49/90/527654990.db2.gz	DARHCYSVIVSTDH-GHXNOFRVSA-N	0	0	430.460	4.128	10	10		IICERN
O=C1Nc2ccc(Br)cc2/C1=C1\SC(=S)N(Cc2ccccc2)C1=O	ZINC000020522420	527088853	/nfs/dbraw/zinc/08/88/53/527088853.db2.gz	GJFMAFXKHJXJPC-CCEZHUSRSA-N	0	0	431.336	4.173	10	10		IICERN
CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3)nn2[C@H]1c1ccc(N(C)C)cc1	ZINC000054642415	563142203	/nfs/dbraw/zinc/14/22/03/563142203.db2.gz	RWAFMQCEDFJDBF-NRFANRHFSA-N	0	0	449.580	4.488	10	10		IICERN
CC(=O)N1c2ccc(NN=Nc3ccc4c(c3)N(C)[C@@H](C)CC(=O)N4)cc2NC(=O)C[C@H]1C	ZINC000016956890	569259236	/nfs/dbraw/zinc/25/92/36/569259236.db2.gz	BUYYLRRXTCBAKH-UONOGXRCSA-N	0	0	449.515	4.048	10	10		IICERN
COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C/c1cccc(Cl)c1	ZINC000033298432	522865728	/nfs/dbraw/zinc/86/57/28/522865728.db2.gz	KTLOLVYVJMZDEW-CPNJWEJPSA-N	0	0	441.911	4.273	10	10		IICERN
NS(=O)(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000035337451	527305675	/nfs/dbraw/zinc/30/56/75/527305675.db2.gz	FUJFNZKSUFSRDU-MSBWEVJISA-N	0	0	449.532	4.137	10	10		IICERN
O=C(NN1C(=O)/C(=C\c2ccccn2)SC1=S)c1ccc(OCc2ccccc2)cc1	ZINC000027533737	569266946	/nfs/dbraw/zinc/26/69/46/569266946.db2.gz	OZCXTBFHYOSLPW-XSFVSMFZSA-N	0	0	447.541	4.207	10	10		IICERN
NS(=O)(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000015658639	527306062	/nfs/dbraw/zinc/30/60/62/527306062.db2.gz	FUJFNZKSUFSRDU-UKFDBNNRSA-N	0	0	449.532	4.137	10	10		IICERN
CC(=O)N1c2ccc(NN=Nc3ccc4c(c3)N(C)[C@H](C)CC(=O)N4)cc2NC(=O)C[C@@H]1C	ZINC000008755040	556211062	/nfs/dbraw/zinc/21/10/62/556211062.db2.gz	BUYYLRRXTCBAKH-KGLIPLIRSA-N	0	0	449.515	4.048	10	10		IICERN
Cc1c(CC(=O)OC(C)C)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1	ZINC000045336877	563131586	/nfs/dbraw/zinc/13/15/86/563131586.db2.gz	VKAHIULTISIANE-UHFFFAOYSA-N	0	0	429.513	4.489	10	10		IICERN
CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cn2c(=O)oc3cc(Cl)ccc32)cc1	ZINC000002927643	569425917	/nfs/dbraw/zinc/42/59/17/569425917.db2.gz	IZEWPCTXBMJMOB-UHFFFAOYSA-N	0	0	439.899	4.136	10	10		IICERN