smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1CC[C@@H]2c3cc([O-])c(Cl)cc3CCN12	ZINC000095576176	182750200	/nfs/dbraw/zinc/75/02/00/182750200.db2.gz	SPWOTKCHXJSVMJ-SNVBAGLBSA-N	-1	1	237.686	2.265	1	0		BEAFMM
O=c1cc(COc2ccc(Cl)cc2)[n-][nH]1	ZINC000095557451	183257712	/nfs/dbraw/zinc/25/77/12/183257712.db2.gz	KRUNKQITSQEHEM-UHFFFAOYSA-N	-1	1	224.647	2.348	1	0		BEAFMM
Cc1ccccc1-n1c(O)cc(=O)[n-]c1=S	ZINC000000563616	179241508	/nfs/dbraw/zinc/24/15/08/179241508.db2.gz	WSOHRIHPADODBE-UHFFFAOYSA-N	-1	1	234.280	2.321	3	0		BEAFMM
O=c1cc(O)n(-c2ccccc2)c(=S)[n-]1	ZINC000009059293	183261482	/nfs/dbraw/zinc/26/14/82/183261482.db2.gz	ONYAAQDUKAPFTP-UHFFFAOYSA-N	-1	1	220.253	2.013	3	0		BEAFMM
C[C@H]1Cc2[n-][nH]c(=O)c2[C@@H](C2CCCC2)O1	ZINC000169342010	177391433	/nfs/dbraw/zinc/39/14/33/177391433.db2.gz	PZQSFAHPZSXQCS-WRWORJQWSA-N	-1	1	222.288	2.308	3	0		BEAFMM
CC(C)(O)/C=C/c1cc2ccc(=O)oc2cc1[O-]	ZINC000014455176	188270735	/nfs/dbraw/zinc/27/07/35/188270735.db2.gz	WXVMDKWVJWQTEJ-AATRIKPKSA-N	-1	1	246.262	2.283	1	0	biogenic,in-vitro	BEAFMM
Cc1ccccc1C([O-])=C1C(=O)CCCC1=O	ZINC000100855601	179246068	/nfs/dbraw/zinc/24/60/68/179246068.db2.gz	ZGPNNJNODAAWSM-UHFFFAOYSA-N	-1	1	230.263	2.116	1	0	in-vivo	BEAFMM
O=C(Cc1cc(O)cc(O)c1)c1ccc([O-])cc1	ZINC000036457154	182034052	/nfs/dbraw/zinc/03/40/52/182034052.db2.gz	OQYZHGAYVSAUQG-UHFFFAOYSA-N	-1	1	244.246	2.229	1	0		BEAFMM
CC1(COc2ccccc2)CC(=O)C=C([O-])C1	ZINC000102893978	168051199	/nfs/dbraw/zinc/05/11/99/168051199.db2.gz	XRBILOBFEYWFQT-UHFFFAOYSA-N	-1	1	232.279	2.394	1	0		BEAFMM
CC(C)(O)/C=C\c1cc2ccc(=O)oc2cc1[O-]	ZINC000095912073	560057606	/nfs/dbraw/zinc/05/76/06/560057606.db2.gz	WXVMDKWVJWQTEJ-WAYWQWQTSA-N	-1	1	246.262	2.283	1	0	biogenic,in-vitro	BEAFMM
CCC[N@H+]1CCO[C@@H](c2cccc(C(=O)[O-])c2)C1	ZINC000028957359	169205404	/nfs/dbraw/zinc/20/54/04/169205404.db2.gz	FTCVLMWLIHKEKE-CYBMUJFWSA-N	-1	1	249.310	2.168	1	0		BEAFMM
CCCN1CCO[C@@H](c2cccc(C(=O)[O-])c2)C1	ZINC000028957359	169205406	/nfs/dbraw/zinc/20/54/06/169205406.db2.gz	FTCVLMWLIHKEKE-CYBMUJFWSA-N	-1	1	249.310	2.168	1	0		BEAFMM
CCOC(=O)c1[n-]nc2c1COc1ccccc1-2	ZINC000006723762	170305703	/nfs/dbraw/zinc/30/57/03/170305703.db2.gz	HMJNVBLVZMDQCE-UHFFFAOYSA-N	-1	1	244.250	2.146	1	0		BEAFMM
CCOC(=O)c1n[n-]c2c1COc1ccccc1-2	ZINC000006723762	170305705	/nfs/dbraw/zinc/30/57/05/170305705.db2.gz	HMJNVBLVZMDQCE-UHFFFAOYSA-N	-1	1	244.250	2.146	1	0		BEAFMM
CCCCc1nc2oc(=O)cc(CC)c2c(=O)[n-]1	ZINC000066097248	169025649	/nfs/dbraw/zinc/02/56/49/169025649.db2.gz	JNBHABWKPNWWKO-UHFFFAOYSA-N	-1	1	248.282	2.194	1	0		BEAFMM
C=C1OC(=O)c2c(O)c(C)c([O-])c(C=O)c2[C@@H]1C	ZINC000014653241	560223990	/nfs/dbraw/zinc/22/39/90/560223990.db2.gz	MKXPEMIYFLKLRY-RXMQYKEDSA-N	-1	1	248.234	2.006	1	0	biogenic,in-vitro	BEAFMM
CC(C)[C@@H]1O[C@@H](C)Cc2[nH]c(=S)[n-]c(=O)c21	ZINC000169302581	187302958	/nfs/dbraw/zinc/30/29/58/187302958.db2.gz	QAPFBRIUCJMIHT-RCOVLWMOSA-N	-1	1	240.328	2.129	3	0		BEAFMM
CC(C)[C@@H]1Cc2[n-][nH]c(=O)c2[C@@H](C2CC2)O1	ZINC000169305457	188337431	/nfs/dbraw/zinc/33/74/31/188337431.db2.gz	QFBAQSMRWIKVBJ-GXSJLCMTSA-N	-1	1	222.288	2.164	3	0		BEAFMM
C[C@H]1O[C@@H](C(C)(C)C)Cc2[n-][nH]c(=O)c21	ZINC000095603778	177409983	/nfs/dbraw/zinc/40/99/83/177409983.db2.gz	SXIZBRPIWZDGLC-HTRCEHHLSA-N	-1	1	210.277	2.164	3	0		BEAFMM
CC(=O)CCc1cc([O-])cc2c1C(=O)C[C@H](C)O2	ZINC000095485953	560061940	/nfs/dbraw/zinc/06/19/40/560061940.db2.gz	QOGYBAIFUWFKAJ-VIFPVBQESA-N	-1	1	248.278	2.268	1	0	biogenic,in-vitro	BEAFMM
COc1cc([O-])c(C(=O)c2ccccc2)cc1O	ZINC000003978546	560192654	/nfs/dbraw/zinc/19/26/54/560192654.db2.gz	NFJVELXCUBWAFL-UHFFFAOYSA-N	-1	1	244.246	2.337	3	0	biogenic,in-vitro	BEAFMM
Cc1cc2[nH]c3nc(=O)[n-]c-3cc2cc1Cl	ZINC000013824589	178303954	/nfs/dbraw/zinc/30/39/54/178303954.db2.gz	KOPBXGWUOMDXIW-UHFFFAOYSA-N	-1	1	233.658	2.366	1	0		BEAFMM
O=c1[n-]c(-c2ccccn2)nc2c1CCSC2	ZINC000096907601	183306692	/nfs/dbraw/zinc/30/66/92/183306692.db2.gz	NAFOHFLHISSOAA-UHFFFAOYSA-N	-1	1	245.307	2.034	1	0		BEAFMM
S=c1[n-]nc(Cc2n[nH]c(=S)s2)s1	ZINC000013532599	183314851	/nfs/dbraw/zinc/31/48/51/183314851.db2.gz	XUFJHTRVFXOZOI-UHFFFAOYSA-N	-1	1	248.383	2.306	1	0	in-vivo	BEAFMM
C[C@H]1Cc2[n-][nH]c(=O)c2[C@H](C2CCCC2)O1	ZINC000169342013	177391089	/nfs/dbraw/zinc/39/10/89/177391089.db2.gz	PZQSFAHPZSXQCS-CPCISQLKSA-N	-1	1	222.288	2.308	3	0		BEAFMM
CCCN1CCO[C@H](c2cccc(C(=O)[O-])c2)C1	ZINC000028957361	169204406	/nfs/dbraw/zinc/20/44/06/169204406.db2.gz	FTCVLMWLIHKEKE-ZDUSSCGKSA-N	-1	1	249.310	2.168	1	0		BEAFMM
Cc1cccc(NC(=O)c2nc(C)ccc2[O-])n1	ZINC000028137299	179142604	/nfs/dbraw/zinc/14/26/04/179142604.db2.gz	DQPDVUHMHZDBEK-UHFFFAOYSA-N	-1	1	243.266	2.051	1	0		BEAFMM
O=C(Nc1ncc(F)s1)c1ccccc1[O-]	ZINC000064474979	182399181	/nfs/dbraw/zinc/39/91/81/182399181.db2.gz	BXSJEWLZNVPXFH-UHFFFAOYSA-N	-1	1	238.243	2.240	1	0		BEAFMM