smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C)c2c(C)c3cccc[n+]3cc12	ZINC000001578040	342704035	/nfs/dbraw/zinc/70/40/35/342704035.db2.gz	VAXONCHKKPAOSY-UHFFFAOYSA-N	1	0	222.311	3.504	40	10		BHCBRO
CC(C)c1cc(C[NH+](C)C)c(O)c(C(C)(C)C)c1	ZINC000001583659	490041080	/nfs/dbraw/zinc/04/10/80/490041080.db2.gz	GVUNWVGYJROCEX-UHFFFAOYSA-N	1	0	249.398	3.875	40	10	in-vitro	BHCBRO
CC(C)(C)[NH2+]Cc1cc(C(C)(C)C)ccc1O	ZINC000001679625	342708453	/nfs/dbraw/zinc/70/84/53/342708453.db2.gz	KZVDGCKVHOQOHP-UHFFFAOYSA-N	1	0	235.371	3.578	40	10		BHCBRO
CC(C)c1ccc(C[NH+](C)C)c(O)c1C(C)(C)C	ZINC000001688145	342709340	/nfs/dbraw/zinc/70/93/40/342709340.db2.gz	LVPGPULMLFJZCS-UHFFFAOYSA-N	1	0	249.398	3.875	40	10		BHCBRO
CCCC[NH+](CCCC)Cc1ccccc1O	ZINC000001694544	383926076	/nfs/dbraw/zinc/92/60/76/383926076.db2.gz	ACCAACYZYKXIOZ-UHFFFAOYSA-N	1	0	235.371	3.794	40	10		BHCBRO
CCCCc1ccc(O)c(C[NH+](CC)CC)c1	ZINC000001706285	169022118	/nfs/dbraw/zinc/02/21/18/169022118.db2.gz	YRMGPEFFULUUIA-UHFFFAOYSA-N	1	0	235.371	3.577	40	10		BHCBRO
Cc1c2cccc(Cl)c2c[n+]2ccccc12	ZINC000001730437	342711704	/nfs/dbraw/zinc/71/17/04/342711704.db2.gz	SRHMFOHESGLEGG-UHFFFAOYSA-N	1	0	228.702	3.540	40	10		BHCBRO
Cc1c2cc(Cl)ccc2c[n+]2ccccc12	ZINC000001730438	342711699	/nfs/dbraw/zinc/71/16/99/342711699.db2.gz	GMBJMDNLVCSBRW-UHFFFAOYSA-N	1	0	228.702	3.540	40	10		BHCBRO
Cc1cc(C)c2c(c1)c[n+]1ccccc1c2C	ZINC000001730443	383930850	/nfs/dbraw/zinc/93/08/50/383930850.db2.gz	GKIUWMBTJBOTTR-UHFFFAOYSA-N	1	0	222.311	3.504	40	10		BHCBRO
Cc1cc(C[NH3+])c(C)n1-c1cccc(Cl)c1C	ZINC000011851021	177600077	/nfs/dbraw/zinc/60/00/77/177600077.db2.gz	WFRQKRHGEGBVFN-UHFFFAOYSA-N	1	0	248.757	3.515	40	10		BHCBRO
Cc1cc(C[NH3+])c(C)n1-c1ccc(Cl)cc1C	ZINC000011851022	178065538	/nfs/dbraw/zinc/06/55/38/178065538.db2.gz	FEAVRBKDQKYSHP-UHFFFAOYSA-N	1	0	248.757	3.515	40	10		BHCBRO
Cc1cc(C[NH3+])c(C)n1-c1cc(Cl)ccc1C	ZINC000011851023	342843733	/nfs/dbraw/zinc/84/37/33/342843733.db2.gz	LJKJVNWZRLWYEV-UHFFFAOYSA-N	1	0	248.757	3.515	40	10		BHCBRO
Cc1cc(C[NH3+])c(C)n1-c1ccc(C)c(Cl)c1	ZINC000011851029	178345629	/nfs/dbraw/zinc/34/56/29/178345629.db2.gz	MSKZAZGLKLPRTM-UHFFFAOYSA-N	1	0	248.757	3.515	40	10		BHCBRO
CCCC[NH+](CCCC)c1ccc(N)cc1	ZINC000012419923	387027858	/nfs/dbraw/zinc/02/78/58/387027858.db2.gz	ARKYDGLMGXZGFC-UHFFFAOYSA-N	1	0	220.360	3.675	40	10		BHCBRO
CCC[NH2+]Cc1cc(C)n(-c2ccccc2)c1C	ZINC000036923345	169265974	/nfs/dbraw/zinc/26/59/74/169265974.db2.gz	CORXBVZWPWCKEI-UHFFFAOYSA-N	1	0	242.366	3.594	40	10		BHCBRO
Cc1ccc2[nH+]ccc(Nc3ccc(N)cc3)c2c1	ZINC000064875339	259313091	/nfs/dbraw/zinc/31/30/91/259313091.db2.gz	XELRWEGNWBQUBA-UHFFFAOYSA-N	1	0	249.317	3.869	40	10		BHCBRO
CC[NH2+]Cc1cc(C)n(-c2ccc(C)cc2)c1C	ZINC000113704305	170125140	/nfs/dbraw/zinc/12/51/40/170125140.db2.gz	PKJJWDKYOQYIKX-UHFFFAOYSA-N	1	0	242.366	3.512	40	10		BHCBRO
CC[NH2+]Cc1cc(C)n(-c2ccccc2C)c1C	ZINC000223665059	170125526	/nfs/dbraw/zinc/12/55/26/170125526.db2.gz	HOWNGAGIQANFJG-UHFFFAOYSA-N	1	0	242.366	3.512	40	10		BHCBRO
CC[NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C	ZINC000223665600	170125041	/nfs/dbraw/zinc/12/50/41/170125041.db2.gz	DFDVFPSTHHGRHD-UHFFFAOYSA-N	1	0	242.366	3.512	40	10		BHCBRO
CCCN1c2ccc(C[NH3+])cc2[C@@H](C)CC1(C)C	ZINC000223779660	132454014	/nfs/dbraw/zinc/45/40/14/132454014.db2.gz	KYWSJRYUWBIEMY-LBPRGKRZSA-N	1	0	246.398	3.648	40	10		BHCBRO
CC(C)N1c2ccc(C[NH3+])cc2[C@@H](C)CC1(C)C	ZINC000223779733	386100886	/nfs/dbraw/zinc/10/08/86/386100886.db2.gz	ATIKXGGJEHAIHE-LBPRGKRZSA-N	1	0	246.398	3.646	40	10		BHCBRO
CCN1c2cc(C)c(C[NH3+])cc2[C@@H](C)CC1(C)C	ZINC000223780025	386100966	/nfs/dbraw/zinc/10/09/66/386100966.db2.gz	UVSWXDPMIYTMSR-LBPRGKRZSA-N	1	0	246.398	3.566	40	10		BHCBRO
CCN1c2ccc(C[NH2+]C)cc2[C@@H](C)CC1(C)C	ZINC000223782122	386100072	/nfs/dbraw/zinc/10/00/72/386100072.db2.gz	GHONGOUPWXRESQ-LBPRGKRZSA-N	1	0	246.398	3.518	40	10		BHCBRO
CC[NH2+]Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C	ZINC000223784177	386102349	/nfs/dbraw/zinc/10/23/49/386102349.db2.gz	HNIXICCVLDMFAS-LBPRGKRZSA-N	1	0	246.398	3.518	40	10		BHCBRO
CC[NH2+]Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2C	ZINC000223784239	386103099	/nfs/dbraw/zinc/10/30/99/386103099.db2.gz	HNIXICCVLDMFAS-GFCCVEGCSA-N	1	0	246.398	3.518	40	10		BHCBRO
CCCN1c2ccc(C[NH3+])cc2C(C)=CC1(C)C	ZINC000223795335	386102527	/nfs/dbraw/zinc/10/25/27/386102527.db2.gz	AYOXADYSCQVUCD-UHFFFAOYSA-N	1	0	244.382	3.557	40	10		BHCBRO
CC1=CC(C)(C)N(C(C)C)c2ccc(C[NH3+])cc21	ZINC000223795410	386103060	/nfs/dbraw/zinc/10/30/60/386103060.db2.gz	KSCXOVWVFVHROJ-UHFFFAOYSA-N	1	0	244.382	3.556	40	10		BHCBRO
CC(C)N1c2ccc(C[NH3+])cc2[C@H](C)CC1(C)C	ZINC000260714144	323119591	/nfs/dbraw/zinc/11/95/91/323119591.db2.gz	ATIKXGGJEHAIHE-GFCCVEGCSA-N	1	0	246.398	3.646	40	10		BHCBRO
CCN1c2ccc(C[NH2+]C)cc2[C@H](C)CC1(C)C	ZINC000260716833	323118957	/nfs/dbraw/zinc/11/89/57/323118957.db2.gz	GHONGOUPWXRESQ-GFCCVEGCSA-N	1	0	246.398	3.518	40	10		BHCBRO
CCCN1c2ccc(C[NH3+])cc2[C@H](C)CC1(C)C	ZINC000260719648	323119289	/nfs/dbraw/zinc/11/92/89/323119289.db2.gz	KYWSJRYUWBIEMY-GFCCVEGCSA-N	1	0	246.398	3.648	40	10		BHCBRO
CCN1c2cc(C)c(C[NH3+])cc2[C@H](C)CC1(C)C	ZINC000260725338	350821540	/nfs/dbraw/zinc/82/15/40/350821540.db2.gz	UVSWXDPMIYTMSR-GFCCVEGCSA-N	1	0	246.398	3.566	40	10		BHCBRO