smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(F)cc1	ZINC000100535568	563631727	/nfs/dbraw/zinc/63/17/27/563631727.db2.gz	VPDXKAKSNFZHIJ-WQRHYEAKSA-N	-1	3	323.371	4.161	40	10		DICBHM
CCc1ccccc1N=C(C)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000112109506	563651673	/nfs/dbraw/zinc/65/16/73/563651673.db2.gz	QLUXRSDZDOXYOC-RGEXLXHISA-N	-1	3	319.408	4.358	40	10		DICBHM
CCn1c(-c2ccc(C)cc2)csc1=Nc1ccc([O-])cc1	ZINC000001454951	563284327	/nfs/dbraw/zinc/28/43/27/563284327.db2.gz	ZHSLPLLHBMGXFG-UHFFFAOYSA-O	-1	3	311.430	4.480	40	10		DICBHM
CCC(=O)N[C@H](c1cccs1)c1c([O-])ccc2ccccc21	ZINC000004957191	181179006	/nfs/dbraw/zinc/17/90/06/181179006.db2.gz	HXNMGCWZSFWLIK-GOSISDBHSA-N	-1	3	311.406	4.223	40	10		DICBHM
CC(=Nc1ccc(C)cc1C)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000112109513	563651730	/nfs/dbraw/zinc/65/17/30/563651730.db2.gz	BVQJWECVCGLZRW-CYVLTUHYSA-N	-1	3	319.408	4.412	40	10		DICBHM
Cc1cc([C@@H]2CCCCCN2Cc2cc(Cl)ccc2[O-])on1	ZINC000019120227	182105380	/nfs/dbraw/zinc/10/53/80/182105380.db2.gz	GYSKLUJTQGEWCR-HNNXBMFYSA-N	-1	3	320.820	4.459	40	10		DICBHM
Cc1ccc(C)c(NCc2cc(Br)ccc2[O-])c1	ZINC000076275352	563459507	/nfs/dbraw/zinc/45/95/07/563459507.db2.gz	POULXXONYRTNGG-UHFFFAOYSA-N	-1	3	306.203	4.384	40	10		DICBHM
Cc1ccc(NCc2cc(Br)ccc2[O-])c(C)c1	ZINC000076275373	563459521	/nfs/dbraw/zinc/45/95/21/563459521.db2.gz	PYGBAWVTXCYMNA-UHFFFAOYSA-N	-1	3	306.203	4.384	40	10		DICBHM
Cc1cc([C@H]2CCCCCN2Cc2cc(Cl)ccc2[O-])on1	ZINC000019120229	182105474	/nfs/dbraw/zinc/10/54/74/182105474.db2.gz	GYSKLUJTQGEWCR-OAHLLOKOSA-N	-1	3	320.820	4.459	40	10		DICBHM
Cc1cccc(NCc2cc(Br)ccc2[O-])c1C	ZINC000076275353	563459515	/nfs/dbraw/zinc/45/95/15/563459515.db2.gz	XRKHUXJAFXCVFO-UHFFFAOYSA-N	-1	3	306.203	4.384	40	10		DICBHM
CC(=Nc1ccc(C)cc1)c1c(C)[n-]n(-c2ccc(F)cc2)c1=O	ZINC000112109785	563651328	/nfs/dbraw/zinc/65/13/28/563651328.db2.gz	KPKAXIBZQHJVRA-AQTBWJFISA-N	-1	3	323.371	4.243	40	10		DICBHM
CCc1ccccc1NCc1cc(Br)ccc1[O-]	ZINC000076275379	563459247	/nfs/dbraw/zinc/45/92/47/563459247.db2.gz	BIXADIZHMFSIDK-UHFFFAOYSA-N	-1	3	306.203	4.329	40	10		DICBHM
CCc1ccc(N=C(C)c2c(C)[n-]n(-c3ccccc3)c2=O)cc1	ZINC000112109463	563651689	/nfs/dbraw/zinc/65/16/89/563651689.db2.gz	UFQXEKOMYZJTOO-RGEXLXHISA-N	-1	3	319.408	4.358	40	10		DICBHM
Cc1cc(C)c2c(NCc3c([O-])ccc4ccccc43)n[nH]c2n1	ZINC000012154421	563363343	/nfs/dbraw/zinc/36/33/43/563363343.db2.gz	WLAQBOCXYDWCJG-UHFFFAOYSA-N	-1	3	318.380	4.046	40	10		DICBHM
CCC(=O)N[C@@H](c1cccs1)c1c([O-])ccc2ccccc21	ZINC000000319184	563607698	/nfs/dbraw/zinc/60/76/98/563607698.db2.gz	HXNMGCWZSFWLIK-SFHVURJKSA-N	-1	3	311.406	4.223	40	10		DICBHM
CC(=Nc1cc(C)cc(C)c1)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000112109455	563651652	/nfs/dbraw/zinc/65/16/52/563651652.db2.gz	SRWVYXYUEAJYLP-CYVLTUHYSA-N	-1	3	319.408	4.412	40	10		DICBHM
CC(=Nc1ccc(C)cc1)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000112107833	563651773	/nfs/dbraw/zinc/65/17/73/563651773.db2.gz	FARGJAAEDZVHHW-JXAWBTAJSA-N	-1	3	305.381	4.104	40	10		DICBHM
CC(=Nc1ccc(C)c(C)c1)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000112109458	563651344	/nfs/dbraw/zinc/65/13/44/563651344.db2.gz	BGRGUFVPQLLPHA-CYVLTUHYSA-N	-1	3	319.408	4.412	40	10		DICBHM