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-])[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1F	ZINC000776665417	939103099	/nfs/dbraw/zinc/10/30/99/939103099.db2.gz	BKVYZWJEQXZHCC-LJQANCHMSA-N	-1	0	447.488	2.367	20	30		IEEDRM
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@](CC)(C(=O)[O-])c2ccc(Cl)cc2)cc1	ZINC000795540380	939157304	/nfs/dbraw/zinc/15/73/04/939157304.db2.gz	BQUQPSSUAZJAFD-FQEVSTJZSA-N	-1	0	434.901	2.371	20	30		IEEDRM
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1	ZINC000540665407	939288629	/nfs/dbraw/zinc/28/86/29/939288629.db2.gz	KTDVMMDXJFJEIP-MRXNPFEDSA-N	-1	0	426.853	2.499	20	30		IEEDRM
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1	ZINC000537370167	939266501	/nfs/dbraw/zinc/26/65/01/939266501.db2.gz	VOKQCLULCYJXIF-INIZCTEOSA-N	-1	0	426.853	2.499	20	30		IEEDRM
C=CCOc1ccccc1CNC(=O)N[C@@](C)(C(=O)[O-])c1ccc(S(C)(=O)=O)cc1	ZINC000571503211	939392354	/nfs/dbraw/zinc/39/23/54/939392354.db2.gz	JLARXSOECYVGOC-OAQYLSRUSA-N	-1	0	432.498	2.454	20	30		IEEDRM
C[C@@](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)(C(=O)[O-])c1ccccc1	ZINC000776618942	939089127	/nfs/dbraw/zinc/08/91/27/939089127.db2.gz	LAIWIPGBDCHVET-QFIPXVFZSA-N	-1	0	443.525	2.402	20	30		IEEDRM
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(OC(F)F)cc2)cc1	ZINC000537413366	939271836	/nfs/dbraw/zinc/27/18/36/939271836.db2.gz	LCTKGSXNQRACII-INIZCTEOSA-N	-1	0	440.424	2.308	20	30		IEEDRM
CC[C@](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)(C(=O)[O-])c1ccccc1	ZINC000776619601	939089718	/nfs/dbraw/zinc/08/97/18/939089718.db2.gz	YKTFNJPATWRPDO-OAQYLSRUSA-N	-1	0	429.498	2.012	20	30		IEEDRM
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(OC(F)F)cc2)c1	ZINC000540715286	939295720	/nfs/dbraw/zinc/29/57/20/939295720.db2.gz	VQBMKYNOMWGDAD-MRXNPFEDSA-N	-1	0	440.424	2.308	20	30		IEEDRM
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@](CC)(C(=O)[O-])c2ccc(Cl)cc2)c1	ZINC000795540365	939157300	/nfs/dbraw/zinc/15/73/00/939157300.db2.gz	AYVVXUFTOHWIRF-HXUWFJFHSA-N	-1	0	434.901	2.371	20	30		IEEDRM
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@](CC)(C(=O)[O-])c2ccc(Cl)cc2)cc1	ZINC000795540383	939157393	/nfs/dbraw/zinc/15/73/93/939157393.db2.gz	BQUQPSSUAZJAFD-HXUWFJFHSA-N	-1	0	434.901	2.371	20	30		IEEDRM
C[C@](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)(C(=O)[O-])c1ccccc1	ZINC000776618941	939089372	/nfs/dbraw/zinc/08/93/72/939089372.db2.gz	LAIWIPGBDCHVET-JOCHJYFZSA-N	-1	0	443.525	2.402	20	30		IEEDRM
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(OC(F)F)cc2)cc1	ZINC000537413367	939271686	/nfs/dbraw/zinc/27/16/86/939271686.db2.gz	LCTKGSXNQRACII-MRXNPFEDSA-N	-1	0	440.424	2.308	20	30		IEEDRM
O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C(=O)[O-])c1ccccc1	ZINC000728155913	939055522	/nfs/dbraw/zinc/05/55/22/939055522.db2.gz	MDKODGTZVDRRGD-IBGZPJMESA-N	-1	0	429.498	2.228	20	30		IEEDRM
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)[O-])c2ccc(OC(F)F)cc2)c1	ZINC000540715285	939295647	/nfs/dbraw/zinc/29/56/47/939295647.db2.gz	VQBMKYNOMWGDAD-INIZCTEOSA-N	-1	0	440.424	2.308	20	30		IEEDRM
C=CCOc1ccccc1CNC(=O)N[C@](C)(C(=O)[O-])c1ccc(S(C)(=O)=O)cc1	ZINC000571503210	939392283	/nfs/dbraw/zinc/39/22/83/939392283.db2.gz	JLARXSOECYVGOC-NRFANRHFSA-N	-1	0	432.498	2.454	20	30		IEEDRM
O=C([O-])[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1F	ZINC000776665416	939102873	/nfs/dbraw/zinc/10/28/73/939102873.db2.gz	BKVYZWJEQXZHCC-IBGZPJMESA-N	-1	0	447.488	2.367	20	30		IEEDRM
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@](CC)(C(=O)[O-])c2ccc(Cl)cc2)c1	ZINC000795540364	939157364	/nfs/dbraw/zinc/15/73/64/939157364.db2.gz	AYVVXUFTOHWIRF-FQEVSTJZSA-N	-1	0	434.901	2.371	20	30		IEEDRM
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1	ZINC000537370170	939266676	/nfs/dbraw/zinc/26/66/76/939266676.db2.gz	VOKQCLULCYJXIF-MRXNPFEDSA-N	-1	0	426.853	2.499	20	30		IEEDRM
O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000728155914	939055671	/nfs/dbraw/zinc/05/56/71/939055671.db2.gz	MDKODGTZVDRRGD-LJQANCHMSA-N	-1	0	429.498	2.228	20	30		IEEDRM
CC[C@@](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)(C(=O)[O-])c1ccccc1	ZINC000776619600	939089544	/nfs/dbraw/zinc/08/95/44/939089544.db2.gz	YKTFNJPATWRPDO-NRFANRHFSA-N	-1	0	429.498	2.012	20	30		IEEDRM
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1	ZINC000540665404	939288731	/nfs/dbraw/zinc/28/87/31/939288731.db2.gz	KTDVMMDXJFJEIP-INIZCTEOSA-N	-1	0	426.853	2.499	20	30		IEEDRM