smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)[C@]12C(N3C(=O)c4ccccc4C3=O)C(=O)N1CCS2(=O)=O	ZINC000001710551	212254744	/nfs/dbraw/zinc/25/47/44/212254744.db2.gz	DNYFPHKVVKPTDI-MEDUHNTESA-N	0	2	378.362	-0.819	40	0		GBABLN
Cc1c(S(=O)(=O)Nc2cnn(C)c2C(=O)NCc2cnn(C)c2)cnn1C	ZINC000002804591	212062310	/nfs/dbraw/zinc/06/23/10/212062310.db2.gz	YSHOQOBQRJPCRJ-UHFFFAOYSA-N	0	2	392.445	-0.074	40	0		GBABLN
CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1	ZINC000004097839	560194991	/nfs/dbraw/zinc/19/49/91/560194991.db2.gz	HKIKAXXIWJHWLY-ZIIYPAMZSA-N	0	2	394.376	-0.547	40	0	biogenic,in-vitro	GBABLN
CCOC(=O)[C@@]12C(N3C(=O)c4ccccc4C3=O)C(=O)N1CCS2(=O)=O	ZINC000005047586	204107000	/nfs/dbraw/zinc/10/70/00/204107000.db2.gz	DNYFPHKVVKPTDI-BZNIZROVSA-N	0	2	378.362	-0.819	40	0		GBABLN
CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c2o1	ZINC000005890334	560203675	/nfs/dbraw/zinc/20/36/75/560203675.db2.gz	HKIKAXXIWJHWLY-BMBOTXNISA-N	0	2	394.376	-0.547	40	0	biogenic,in-vitro	GBABLN
CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c2o1	ZINC000005890339	560203683	/nfs/dbraw/zinc/20/36/83/560203683.db2.gz	HKIKAXXIWJHWLY-LOWFOZAKSA-N	0	2	394.376	-0.547	40	0	biogenic,in-vitro	GBABLN
CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2o1	ZINC000005890342	560203666	/nfs/dbraw/zinc/20/36/66/560203666.db2.gz	HKIKAXXIWJHWLY-LJNYTWTNSA-N	0	2	394.376	-0.547	40	0	biogenic,in-vitro	GBABLN
CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2o1	ZINC000005890346	560203745	/nfs/dbraw/zinc/20/37/45/560203745.db2.gz	HKIKAXXIWJHWLY-TVOLIBFISA-N	0	2	394.376	-0.547	40	0	biogenic,in-vitro	GBABLN
CC(=O)NCCNC(=O)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(C[NH+](C)C)nn1	ZINC000008299052	291093826	/nfs/dbraw/zinc/09/38/26/291093826.db2.gz	NDAMGHYCGWTIEE-UAGQMJEPSA-N	0	2	377.493	-0.698	40	0	biogenic,in-vitro	GBABLN
CCOC(=O)[C@]12C(N3C(=O)c4ccccc4C3=O)C(=O)N1CCS2(=O)=O	ZINC000008637570	221048653	/nfs/dbraw/zinc/04/86/53/221048653.db2.gz	DNYFPHKVVKPTDI-BDJLRTHQSA-N	0	2	378.362	-0.819	40	0		GBABLN
CCOC(=O)[C@@]12C(N3C(=O)c4ccccc4C3=O)C(=O)N1CCS2(=O)=O	ZINC000008637572	570536067	/nfs/dbraw/zinc/53/60/67/570536067.db2.gz	DNYFPHKVVKPTDI-ZBEGNZNMSA-N	0	2	378.362	-0.819	40	0		GBABLN
NS(=O)(=O)c1ccc(CNC(=S)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1	ZINC000016401526	210189747	/nfs/dbraw/zinc/18/97/47/210189747.db2.gz	QWQUVNPCFXUMTB-LBPRGKRZSA-N	0	2	383.455	-0.283	40	0		GBABLN
NS(=O)(=O)c1ccc(CNC(=S)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1	ZINC000016401526	210189744	/nfs/dbraw/zinc/18/97/44/210189744.db2.gz	QWQUVNPCFXUMTB-LBPRGKRZSA-N	0	2	383.455	-0.283	40	0		GBABLN
NS(=O)(=O)c1ccc(CNC(=S)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1	ZINC000016401528	221361944	/nfs/dbraw/zinc/36/19/44/221361944.db2.gz	QWQUVNPCFXUMTB-GFCCVEGCSA-N	0	2	383.455	-0.283	40	0		GBABLN
NS(=O)(=O)c1ccc(CNC(=S)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1	ZINC000016401528	221361941	/nfs/dbraw/zinc/36/19/41/221361941.db2.gz	QWQUVNPCFXUMTB-GFCCVEGCSA-N	0	2	383.455	-0.283	40	0		GBABLN
COC(=O)c1cc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc(C(=O)OC)c1	ZINC000032553912	570511292	/nfs/dbraw/zinc/51/12/92/570511292.db2.gz	ZVSCNEAHKHJTHI-UHFFFAOYSA-N	0	2	383.338	-0.563	40	0		GBABLN
CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)c2o1	ZINC000239309356	560040607	/nfs/dbraw/zinc/04/06/07/560040607.db2.gz	HKIKAXXIWJHWLY-BQXVCNAFSA-N	0	2	394.376	-0.547	40	0	biogenic,in-vitro	GBABLN
CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2o1	ZINC000239309357	560040596	/nfs/dbraw/zinc/04/05/96/560040596.db2.gz	HKIKAXXIWJHWLY-IGZUXUIZSA-N	0	2	394.376	-0.547	40	0	biogenic,in-vitro	GBABLN
CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2o1	ZINC000239309358	560040598	/nfs/dbraw/zinc/04/05/98/560040598.db2.gz	HKIKAXXIWJHWLY-QEVGBQTESA-N	0	2	394.376	-0.547	40	0	biogenic,in-vitro	GBABLN
CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)c2o1	ZINC000239309359	560040602	/nfs/dbraw/zinc/04/06/02/560040602.db2.gz	HKIKAXXIWJHWLY-UELOOKOOSA-N	0	2	394.376	-0.547	40	0	biogenic,in-vitro	GBABLN
O=C(CCn1[nH]c(=O)ccc1=O)N1CCC([C@@H]2NC(=O)N[C@H]3OCC[C@H]32)CC1	ZINC000257205041	206158778	/nfs/dbraw/zinc/15/87/78/206158778.db2.gz	AXJSGZDJZQPERN-ZLIFDBKOSA-N	0	2	391.428	-0.378	40	0		GBABLN
C[NH+]1CCN([C@H]2C[N@@H+](Cc3ccc(OCCOCCO)cc3)C[C@@H]2O)CC1	ZINC000585270540	570239364	/nfs/dbraw/zinc/23/93/64/570239364.db2.gz	ZGLHYVGZCXWZNY-PMACEKPBSA-N	0	2	379.501	-0.133	40	0		GBABLN
C[NH+]1CCN([C@@H]2C[N@@H+](Cc3ccc(OCCOCCO)cc3)C[C@@H]2O)CC1	ZINC000585270547	570239415	/nfs/dbraw/zinc/23/94/15/570239415.db2.gz	ZGLHYVGZCXWZNY-UXHICEINSA-N	0	2	379.501	-0.133	40	0		GBABLN