smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1cc(Cl)c(Cl)c(Cl)c1O	ZINC000000113800	183256846	/nfs/dbraw/zinc/25/68/46/183256846.db2.gz	FUTDYIMYZIMPBJ-UHFFFAOYSA-N	0	1	213.447	3.058	40	10	in-vitro	BGCBMN
CCCC[NH2+]Cc1c([O-])ccc2ccccc21	ZINC000001594251	386381600	/nfs/dbraw/zinc/38/16/00/386381600.db2.gz	ZGCDLHSPBVMTTH-UHFFFAOYSA-N	0	1	229.323	3.435	40	10		BGCBMN
[O-]c1ccc(Cl)cc1C[NH2+]C1CCCCC1	ZINC000001679781	183273695	/nfs/dbraw/zinc/27/36/95/183273695.db2.gz	XQQZBTLQSAXUAF-UHFFFAOYSA-N	0	1	239.746	3.468	40	10		BGCBMN
CC(C)(C)[NH2+]Cc1c([O-])ccc2ccccc21	ZINC000001701326	342710018	/nfs/dbraw/zinc/71/00/18/342710018.db2.gz	JYAJSVKGDCGMEQ-UHFFFAOYSA-N	0	1	229.323	3.434	40	10		BGCBMN
C[N@@H+](Cc1ccccc1O)C1CCCCC1	ZINC000001710437	383929168	/nfs/dbraw/zinc/92/91/68/383929168.db2.gz	IXHZCIKCXBPATC-UHFFFAOYSA-N	0	1	219.328	3.157	40	10		BGCBMN
Cc1ccc(C)n1-c1ccc(S)cc1	ZINC000008701910	346568333	/nfs/dbraw/zinc/56/83/33/346568333.db2.gz	XDTKHAYZAMOXJV-UHFFFAOYSA-N	0	1	203.310	3.383	40	10		BGCBMN
CCC[NH2+]Cc1c([O-])ccc2ccccc21	ZINC000019473824	169265936	/nfs/dbraw/zinc/26/59/36/169265936.db2.gz	RSWJZNHQYAXCRF-UHFFFAOYSA-N	0	1	215.296	3.045	40	10		BGCBMN
CC(C)[NH2+]Cc1c([O-])ccc2ccccc21	ZINC000019880487	167117742	/nfs/dbraw/zinc/11/77/42/167117742.db2.gz	ZPMDMMJMLQAGQD-UHFFFAOYSA-N	0	1	215.296	3.043	40	10		BGCBMN
CC[C@@H](C)[NH2+]Cc1c([O-])ccc2ccccc21	ZINC000019881987	188006093	/nfs/dbraw/zinc/00/60/93/188006093.db2.gz	HNXFNTOVWDIQKT-LLVKDONJSA-N	0	1	229.323	3.434	40	10		BGCBMN
CC[C@H](C)[NH2+]Cc1c([O-])ccc2ccccc21	ZINC000019881988	171342353	/nfs/dbraw/zinc/34/23/53/171342353.db2.gz	HNXFNTOVWDIQKT-NSHDSACASA-N	0	1	229.323	3.434	40	10		BGCBMN
CC(C)C[NH2+]Cc1c([O-])ccc2ccccc21	ZINC000019882995	167007886	/nfs/dbraw/zinc/00/78/86/167007886.db2.gz	XJUWQPXQHQILCQ-UHFFFAOYSA-N	0	1	229.323	3.291	40	10		BGCBMN
CN(C)C1=CC(=O)C(=NN=c2cccc[nH]2)C=C1	ZINC000256160883	351036105	/nfs/dbraw/zinc/03/61/05/351036105.db2.gz	RBYWVGOQLYTZCK-UHFFFAOYSA-N	0	1	242.282	3.269	40	10		BGCBMN
Cc1n[nH]c(C2CCCC2)c1CN=[N+]=[N-]	ZINC000409438433	343844278	/nfs/dbraw/zinc/84/42/78/343844278.db2.gz	DJJWJKWVFJJXDG-UHFFFAOYSA-N	0	1	205.265	3.186	40	10		BGCBMN
CC(C)Cc1n[nH]c(C2CC2)c1CN=[N+]=[N-]	ZINC000409438646	343844877	/nfs/dbraw/zinc/84/48/77/343844877.db2.gz	DLKFKYQPTMPSQL-UHFFFAOYSA-N	0	1	219.292	3.296	40	10		BGCBMN
CCc1n[nH]c(C2CCCC2)c1CN=[N+]=[N-]	ZINC000409439504	343847315	/nfs/dbraw/zinc/84/73/15/343847315.db2.gz	IRKUDGWWQCQJCW-UHFFFAOYSA-N	0	1	219.292	3.440	40	10		BGCBMN
CCc1n[nH]c(C2CCC2)c1CN=[N+]=[N-]	ZINC000409441297	343856253	/nfs/dbraw/zinc/85/62/53/343856253.db2.gz	QRYORPPRUMWSJK-UHFFFAOYSA-N	0	1	205.265	3.050	40	10		BGCBMN
CC(C)c1n[nH]c(C2CC2)c1CN=[N+]=[N-]	ZINC000409441953	343856820	/nfs/dbraw/zinc/85/68/20/343856820.db2.gz	VMNCPLINIDXJIF-UHFFFAOYSA-N	0	1	205.265	3.221	40	10		BGCBMN
[N-]=[N+]=NCc1c(C2CC2)n[nH]c1C1CCC1	ZINC000409442158	343857407	/nfs/dbraw/zinc/85/74/07/343857407.db2.gz	XCURKMGCCMFGIT-UHFFFAOYSA-N	0	1	217.276	3.365	40	10		BGCBMN
N=Nc1ccc2nc(-c3ccc(N)cc3)[nH]c2c1	ZINC000584578843	490168628	/nfs/dbraw/zinc/16/86/28/490168628.db2.gz	OKAHOUVIFNSAGQ-UHFFFAOYSA-N	0	1	237.266	3.475	40	10		BGCBMN