smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])N[C@H]1CC[C@H](C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)C1	ZINC000832281100	603435657	/nfs/dbraw/zinc/43/56/57/603435657.db2.gz	XSFSOTICSOGXIZ-STQMWFEESA-N	-1	2	387.392	2.056	20	50		GEGDLM
CC(C)(C)[C@H](NC(=O)[O-])C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	ZINC000823850168	605581135	/nfs/dbraw/zinc/58/11/35/605581135.db2.gz	NWGCUFOGLVJCNH-OAHLLOKOSA-N	-1	2	389.408	2.302	20	50		GEGDLM
COc1cc(OC)cc([C@H](NNC(=O)C(F)(F)Oc2ccccc2)C(=O)[O-])c1	ZINC000832057463	602175243	/nfs/dbraw/zinc/17/52/43/602175243.db2.gz	OUQKHONIQVYPRS-HNNXBMFYSA-N	-1	2	396.346	2.122	20	50		GEGDLM
O=C([O-])NCc1ccc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)o1	ZINC000832702258	603224650	/nfs/dbraw/zinc/22/46/50/603224650.db2.gz	NRIDFXMVGSEYOD-UHFFFAOYSA-N	-1	2	375.425	2.415	20	50		GEGDLM
O=C([O-])N1CCC[C@H](C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)C1	ZINC000831735808	605158305	/nfs/dbraw/zinc/15/83/05/605158305.db2.gz	AWBIGLKABMXSOA-ZDUSSCGKSA-N	-1	2	387.392	2.010	20	50		GEGDLM
C=CCn1c(=O)c2ccc(C(=O)NNc3ccccc3C(=O)[O-])cc2[nH]c1=S	ZINC000833380764	605257751	/nfs/dbraw/zinc/25/77/51/605257751.db2.gz	OKQKTTQUIHJPMF-UHFFFAOYSA-N	-1	2	396.428	2.326	20	50		GEGDLM
O=C([O-])N[C@@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)C1	ZINC000832281090	603435561	/nfs/dbraw/zinc/43/55/61/603435561.db2.gz	XSFSOTICSOGXIZ-CHWSQXEVSA-N	-1	2	387.392	2.056	20	50		GEGDLM
O=C([O-])Nc1ccc(Cc2nc(C(=O)NNC(=O)c3ccc[nH]3)cs2)cc1	ZINC000834259571	605512835	/nfs/dbraw/zinc/51/28/35/605512835.db2.gz	AHCWPPWLNPOGHK-UHFFFAOYSA-N	-1	2	385.405	2.227	20	50		GEGDLM
O=C([O-])N1CCC[C@@H]1CC(=O)NNC(=O)c1ccc(COc2ccccc2)o1	ZINC000831339252	603236065	/nfs/dbraw/zinc/23/60/65/603236065.db2.gz	FQXJTJBJHGCCOC-CYBMUJFWSA-N	-1	2	387.392	2.152	20	50		GEGDLM
CCn1c(=O)c2ccc(C(=O)NNc3cccc(C(=O)[O-])c3)cc2[nH]c1=S	ZINC000833683707	605731557	/nfs/dbraw/zinc/73/15/57/605731557.db2.gz	MLAHFSUJDQJMMO-UHFFFAOYSA-N	-1	2	384.417	2.160	20	50		GEGDLM
O=C([O-])N[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)C1	ZINC000832281094	603435527	/nfs/dbraw/zinc/43/55/27/603435527.db2.gz	XSFSOTICSOGXIZ-OLZOCXBDSA-N	-1	2	387.392	2.056	20	50		GEGDLM
O=C([O-])NCC(=O)NNC(=O)c1ccc(COc2ccc3ccccc3c2)o1	ZINC000834203619	605446455	/nfs/dbraw/zinc/44/64/55/605446455.db2.gz	VHXCNMLPGMCHOD-UHFFFAOYSA-N	-1	2	383.360	2.040	20	50		GEGDLM
O=C([O-])c1ccc2c(c1)CN(C(=O)NNC(=O)C(F)(F)Oc1ccccc1)C2	ZINC000833324957	600776025	/nfs/dbraw/zinc/77/60/25/600776025.db2.gz	JSMVAWSPCNWMPK-UHFFFAOYSA-N	-1	2	391.330	2.113	20	50		GEGDLM
O=C([O-])Nc1ccccc1CC(=O)NNC(=O)C(F)(F)Oc1ccccc1	ZINC000834271959	606064621	/nfs/dbraw/zinc/06/46/21/606064621.db2.gz	GXLDNHXXMBUMPG-UHFFFAOYSA-N	-1	2	379.319	2.138	20	50		GEGDLM
O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1cc(F)cc(Cl)c1O	ZINC000826445730	608575095	/nfs/dbraw/zinc/57/50/95/608575095.db2.gz	HKZXBJNSWLDLBN-UHFFFAOYSA-N	-1	2	384.158	2.170	20	50		GEGDLM
O=C([O-])NCc1ccc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)o1	ZINC000832702537	603224608	/nfs/dbraw/zinc/22/46/08/603224608.db2.gz	QWRPCQXCCLJLFO-UHFFFAOYSA-N	-1	2	383.813	2.254	20	50		GEGDLM
C[C@H]1CCc2sc(C(=O)NNC(=O)c3ccc(CNC(=O)[O-])o3)cc2C1	ZINC000825955660	603233346	/nfs/dbraw/zinc/23/33/46/603233346.db2.gz	KTOILCQJOPVPAF-VIFPVBQESA-N	-1	2	377.422	2.308	20	50		GEGDLM
O=C([O-])NCC(=O)NNC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1	ZINC000834203059	605465126	/nfs/dbraw/zinc/46/51/26/605465126.db2.gz	KMIFVJUKJGXQBH-UHFFFAOYSA-N	-1	2	389.220	2.146	20	50		GEGDLM
O=C([O-])Nc1ccc(Cc2nc(C(=O)NNC(=O)c3ccoc3)cs2)cc1	ZINC000834260746	605522297	/nfs/dbraw/zinc/52/22/97/605522297.db2.gz	ZBGRYGMAAIFPMD-UHFFFAOYSA-N	-1	2	386.389	2.492	20	50		GEGDLM
CC(C)Oc1ccc(NC(=S)NNC(=O)c2ccc(CNC(=O)[O-])o2)cc1	ZINC000824418290	604032617	/nfs/dbraw/zinc/03/26/17/604032617.db2.gz	KMXLTBUYGNEZPK-UHFFFAOYSA-N	-1	2	392.437	2.466	20	50		GEGDLM
C[C@]1(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)CCN(C(=O)[O-])C1	ZINC000825672595	603864112	/nfs/dbraw/zinc/86/41/12/603864112.db2.gz	GZEJZOJNSNKOMX-IBGZPJMESA-N	-1	2	387.392	2.010	20	50		GEGDLM
O=C([O-])NCc1ccc(C(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)o1	ZINC000832702003	604033913	/nfs/dbraw/zinc/03/39/13/604033913.db2.gz	KMQXAFYRMAUEHO-UHFFFAOYSA-N	-1	2	384.295	2.115	20	50		GEGDLM
O=C([O-])Nc1ccc(Cc2nc(C(=O)NNC(=O)NCC3CC3)cs2)cc1	ZINC000834259823	605520439	/nfs/dbraw/zinc/52/04/39/605520439.db2.gz	HBNXNQBQSKWSEM-UHFFFAOYSA-N	-1	2	389.437	2.178	20	50		GEGDLM
O=C([O-])NCCCC(=O)NNC(=O)c1cnc(-c2ccccc2Cl)s1	ZINC000834230479	605976373	/nfs/dbraw/zinc/97/63/73/605976373.db2.gz	ZXCAXCFABFDFAR-UHFFFAOYSA-N	-1	2	382.829	2.272	20	50		GEGDLM
O=C([O-])NCCCC(=O)NNC(=O)c1csc(-c2ccccc2Cl)n1	ZINC000834230447	605979279	/nfs/dbraw/zinc/97/92/79/605979279.db2.gz	ZNOFHAQPUXMOFV-UHFFFAOYSA-N	-1	2	382.829	2.272	20	50		GEGDLM
O=C([O-])c1cc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)ccn1	ZINC000833149378	601248392	/nfs/dbraw/zinc/24/83/92/601248392.db2.gz	OVSHQUVXMHGNNH-UHFFFAOYSA-N	-1	2	381.344	2.027	20	50		GEGDLM
O=C([O-])C[C@@H]1CCCN1C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	ZINC000833210820	604478887	/nfs/dbraw/zinc/47/88/87/604478887.db2.gz	YBUYIWYRNGRNLP-ZDUSSCGKSA-N	-1	2	387.392	2.152	20	50		GEGDLM
O=C([O-])C[C@H]1CCCN1C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	ZINC000833210819	604479050	/nfs/dbraw/zinc/47/90/50/604479050.db2.gz	YBUYIWYRNGRNLP-CYBMUJFWSA-N	-1	2	387.392	2.152	20	50		GEGDLM
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(CNC(=O)[O-])o2)c1	ZINC000830251162	603222618	/nfs/dbraw/zinc/22/26/18/603222618.db2.gz	NFUBIWMMVZEQCY-UHFFFAOYSA-N	-1	2	389.408	2.319	20	50		GEGDLM
O=C([O-])Nc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)c(O)c1	ZINC000834254709	605628493	/nfs/dbraw/zinc/62/84/93/605628493.db2.gz	BRODROIWEUBVPO-UHFFFAOYSA-N	-1	2	382.332	2.212	20	50		GEGDLM
O=C([O-])NCc1ccc(C(=O)NNC(=O)CCSc2ccc(F)cc2)o1	ZINC000832702553	603230930	/nfs/dbraw/zinc/23/09/30/603230930.db2.gz	RTCCHLQKBXZDNV-UHFFFAOYSA-N	-1	2	381.385	2.130	20	50		GEGDLM
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3ccc(CNC(=O)[O-])o3)cc2C1	ZINC000825955659	603233612	/nfs/dbraw/zinc/23/36/12/603233612.db2.gz	KTOILCQJOPVPAF-SECBINFHSA-N	-1	2	377.422	2.308	20	50		GEGDLM
O=C([O-])N1CCC[C@H]1CC(=O)NNC(=O)c1ccc(COc2ccccc2)o1	ZINC000831339254	603235984	/nfs/dbraw/zinc/23/59/84/603235984.db2.gz	FQXJTJBJHGCCOC-ZDUSSCGKSA-N	-1	2	387.392	2.152	20	50		GEGDLM
CCCNC(=O)NNC(=O)c1csc(Cc2ccc(NC(=O)[O-])cc2)n1	ZINC000833855545	605517761	/nfs/dbraw/zinc/51/77/61/605517761.db2.gz	HJKMIRASYWVUPT-UHFFFAOYSA-N	-1	2	377.426	2.178	20	50		GEGDLM
O=C([O-])N[C@@H]1CC[C@H](C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)C1	ZINC000832281097	603435585	/nfs/dbraw/zinc/43/55/85/603435585.db2.gz	XSFSOTICSOGXIZ-QWHCGFSZSA-N	-1	2	387.392	2.056	20	50		GEGDLM
Cc1ccc(C(=O)NNC(=O)c2ccc3c(ccn3CCCNC(=O)[O-])c2)o1	ZINC000830224840	603797869	/nfs/dbraw/zinc/79/78/69/603797869.db2.gz	AHGBDKLGIXSVKY-UHFFFAOYSA-N	-1	2	384.392	2.275	20	50		GEGDLM
O=C([O-])N1CCC[C@@H](C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)C1	ZINC000831735807	605158048	/nfs/dbraw/zinc/15/80/48/605158048.db2.gz	AWBIGLKABMXSOA-CYBMUJFWSA-N	-1	2	387.392	2.010	20	50		GEGDLM
COc1cc(OC)cc([C@@H](NNC(=O)C(F)(F)Oc2ccccc2)C(=O)[O-])c1	ZINC000832057464	602174906	/nfs/dbraw/zinc/17/49/06/602174906.db2.gz	OUQKHONIQVYPRS-OAHLLOKOSA-N	-1	2	396.346	2.122	20	50		GEGDLM
C=CCn1c(=O)c2ccc(C(=O)NNc3cccc(C(=O)[O-])c3)cc2[nH]c1=S	ZINC000833380485	605733928	/nfs/dbraw/zinc/73/39/28/605733928.db2.gz	HJUCAKVAFCHSJU-UHFFFAOYSA-N	-1	2	396.428	2.326	20	50		GEGDLM
CC(C)c1nc(-c2nn[nH]n2)c(N[N-]C(=O)C(F)(F)c2c(F)cccc2F)o1	ZINC000824352615	607936300	/nfs/dbraw/zinc/93/63/00/607936300.db2.gz	KMMSTBGLRFDLPA-UHFFFAOYSA-N	-1	2	399.308	2.491	20	50		GEGDLM
O=C([O-])NCCCC(=O)NNC(=O)c1ccc(-c2nc3ccccc3s2)o1	ZINC000834229780	605976522	/nfs/dbraw/zinc/97/65/22/605976522.db2.gz	IMWSFEHDHMTRBM-UHFFFAOYSA-N	-1	2	388.405	2.365	20	50		GEGDLM
O=C([O-])Nc1cccc(CC(=O)NNC(=O)c2cc(-c3ccccc3)on2)c1	ZINC000834266504	605757625	/nfs/dbraw/zinc/75/76/25/605757625.db2.gz	BOVYSNADQHSBQH-UHFFFAOYSA-N	-1	2	380.360	2.435	20	50		GEGDLM
O=C([O-])Nc1ccccc1CC(=O)NNC(=O)c1cc(-c2ccccc2)on1	ZINC000834275095	606043223	/nfs/dbraw/zinc/04/32/23/606043223.db2.gz	YSOCESMESSXZTQ-UHFFFAOYSA-N	-1	2	380.360	2.435	20	50		GEGDLM
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc2[n-]c(=S)oc2c1	ZINC000826445941	608631612	/nfs/dbraw/zinc/63/16/12/608631612.db2.gz	RUYLQTRHALUPBE-UHFFFAOYSA-N	-1	2	388.800	2.102	20	50		GEGDLM
C[C@@]1(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)CCN(C(=O)[O-])C1	ZINC000825672599	603864276	/nfs/dbraw/zinc/86/42/76/603864276.db2.gz	GZEJZOJNSNKOMX-LJQANCHMSA-N	-1	2	387.392	2.010	20	50		GEGDLM
CCOc1ccc(NC(=S)NNC(=O)c2ccc(CNC(=O)[O-])o2)cc1	ZINC000827444602	603448122	/nfs/dbraw/zinc/44/81/22/603448122.db2.gz	KMOXPWLUPWXMAW-UHFFFAOYSA-N	-1	2	378.410	2.077	20	50		GEGDLM
O=C([O-])NC1(CC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)CCC1	ZINC000832206400	604066008	/nfs/dbraw/zinc/06/60/08/604066008.db2.gz	GUUPAMBCRLAGGT-UHFFFAOYSA-N	-1	2	387.392	2.200	20	50		GEGDLM
O=C([O-])N(CC(=O)NNC(=O)c1cc(-c2ccccc2)on1)c1ccccc1	ZINC000831450594	605594877	/nfs/dbraw/zinc/59/48/77/605594877.db2.gz	FNVQENABFBBCEI-UHFFFAOYSA-N	-1	2	380.360	2.287	20	50		GEGDLM
O=C([O-])NCc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)o1	ZINC000832702475	603238137	/nfs/dbraw/zinc/23/81/37/603238137.db2.gz	PPONJFTUDGVGFG-UHFFFAOYSA-N	-1	2	377.422	2.452	20	50		GEGDLM
O=C([O-])NCCCC(=O)NNC(=O)c1csc(-c2ccc(Cl)s2)n1	ZINC000834230442	605976479	/nfs/dbraw/zinc/97/64/79/605976479.db2.gz	ZENSDTJMSZUTDG-UHFFFAOYSA-N	-1	2	388.858	2.334	20	50		GEGDLM
CCn1c(=O)c2ccc(C(=O)NNc3ccccc3C(=O)[O-])cc2[nH]c1=S	ZINC000833684312	605722415	/nfs/dbraw/zinc/72/24/15/605722415.db2.gz	XLPPIJUZDCRXTN-UHFFFAOYSA-N	-1	2	384.417	2.160	20	50		GEGDLM