smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1c(=O)c2ccc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)CC3(C)C)cc2[nH]c1=S	ZINC001304184524	1067235362	/nfs/dbraw/zinc/23/53/62/1067235362.db2.gz	OMSXQZKCKFJCJB-KRWDZBQOSA-N	0	2	458.584	3.247	20	30		JGEDLN
CC#CCN(C)C(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1Cl	ZINC001298666702	1064444413	/nfs/dbraw/zinc/44/44/13/1064444413.db2.gz	ZUCUIDFTDFMCPN-UHFFFAOYSA-N	0	2	451.888	3.153	20	30		JGEDLN
C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(F)c(N4CCCNC4=O)c3)cc2[nH]c1=S	ZINC001298839710	1064642398	/nfs/dbraw/zinc/64/23/98/1064642398.db2.gz	RWNSVXZZRKMLAY-UHFFFAOYSA-N	0	2	453.499	3.182	20	30		JGEDLN
C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC3(C)C)cc2[nH]c1=S	ZINC001304184525	1067235410	/nfs/dbraw/zinc/23/54/10/1067235410.db2.gz	OMSXQZKCKFJCJB-QGZVFWFLSA-N	0	2	458.584	3.247	20	30		JGEDLN
C#CCCN(CCOC)C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1Cl)c2=O	ZINC001301380418	1066172092	/nfs/dbraw/zinc/17/20/92/1066172092.db2.gz	XGZACWJUTCRFBY-UHFFFAOYSA-N	0	2	455.967	3.499	20	30		JGEDLN
C#C[C@H]1CC[C@H](NC(=O)c2ccc(NC(=O)CC3SC(N4CCCC4)=NC3=O)cc2)CC1	ZINC001303294532	1067819115	/nfs/dbraw/zinc/81/91/15/1067819115.db2.gz	MOEHBJXYVFNUJO-NSISKUIASA-N	0	2	452.580	3.031	20	30		JGEDLN
CC(C)(CCC#N)CNC(=O)c1ccc(NC(=O)CC2SC(N3CCCC3)=NC2=O)cc1	ZINC001298860696	1064663279	/nfs/dbraw/zinc/66/32/79/1064663279.db2.gz	YABACHYLOHILIY-GOSISDBHSA-N	0	2	455.584	3.169	20	30		JGEDLN
CC(C)(CCC#N)CNC(=O)c1ccc(NC(=O)CC2SC(N3CCCC3)=NC2=O)cc1	ZINC001298860697	1064663136	/nfs/dbraw/zinc/66/31/36/1064663136.db2.gz	YABACHYLOHILIY-SFHVURJKSA-N	0	2	455.584	3.169	20	30		JGEDLN
C#C[C@H]1CC[C@H](NC(=O)c2ccc(NC(=O)CC3SC(N4CCCC4)=NC3=O)cc2)CC1	ZINC001303294533	1067818986	/nfs/dbraw/zinc/81/89/86/1067818986.db2.gz	MOEHBJXYVFNUJO-VDGAXYAQSA-N	0	2	452.580	3.031	20	30		JGEDLN
C[C@@]1(C#N)CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccccc2Cl)c3=O)CCO1	ZINC001304192681	1067243623	/nfs/dbraw/zinc/24/36/23/1067243623.db2.gz	FGNQGHQZFJGBJA-JOCHJYFZSA-N	0	2	454.939	3.142	20	30		JGEDLN
C[C@]1(C#N)CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccccc2Cl)c3=O)CCO1	ZINC001304192682	1067243738	/nfs/dbraw/zinc/24/37/38/1067243738.db2.gz	FGNQGHQZFJGBJA-QFIPXVFZSA-N	0	2	454.939	3.142	20	30		JGEDLN
C=CCn1c(=O)c2ccc(C(=O)NC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C)cc2[nH]c1=S	ZINC001303784719	1068365721	/nfs/dbraw/zinc/36/57/21/1068365721.db2.gz	UTNLXRZRBDVCRI-GDBMZVCRSA-N	0	2	458.584	3.104	20	30		JGEDLN
CSC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1	ZINC001302708904	1067330429	/nfs/dbraw/zinc/33/04/29/1067330429.db2.gz	FQRGUWURRSGHML-NRFANRHFSA-N	0	2	483.686	3.087	20	30		JGEDLN
C#C[C@H]1CC[C@H](NC(=O)c2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3OC)cc2)CC1	ZINC001303293981	1067819300	/nfs/dbraw/zinc/81/93/00/1067819300.db2.gz	JFWMDXBTGXJTGU-JCNLHEQBSA-N	0	2	457.508	3.326	20	30		JGEDLN
O=C(CC1CCN(CC(F)(F)F)CC1)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F	ZINC001299927077	1065188449	/nfs/dbraw/zinc/18/84/49/1065188449.db2.gz	DCYDBIVUQMBAJF-NEPJUHHUSA-N	0	2	471.364	3.251	20	30		JGEDLN
C=C(C)COCCn1c(-c2cnccn2)nnc1N(CC)Cc1nc(=O)c2sccc2[nH]1	ZINC001300984040	1065795132	/nfs/dbraw/zinc/79/51/32/1065795132.db2.gz	WLPAMILEKUVJAY-UHFFFAOYSA-N	0	2	452.544	3.065	20	30		JGEDLN