smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([O-])c(C[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)c1	ZINC000001615790	342706105	/nfs/dbraw/zinc/70/61/05/342706105.db2.gz	OQMFRLHFAVGPRP-KBPBESRZSA-N	0	3	245.366	3.323	40	10		BGCBHN
Cc1ccc([O-])c(C[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)c1	ZINC000001615790	342706103	/nfs/dbraw/zinc/70/61/03/342706103.db2.gz	OQMFRLHFAVGPRP-KBPBESRZSA-N	0	3	245.366	3.323	40	10		BGCBHN
Cc1ccc(C[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)c([O-])c1	ZINC000001615872	342706157	/nfs/dbraw/zinc/70/61/57/342706157.db2.gz	ILSQZOMLDXGFOV-KBPBESRZSA-N	0	3	245.366	3.323	40	10		BGCBHN
Cc1ccc(C[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)c([O-])c1	ZINC000001615872	342706156	/nfs/dbraw/zinc/70/61/56/342706156.db2.gz	ILSQZOMLDXGFOV-KBPBESRZSA-N	0	3	245.366	3.323	40	10		BGCBHN
C[N@@H+](Cc1ccccc1[O-])C1CCCCC1	ZINC000001710437	383929175	/nfs/dbraw/zinc/92/91/75/383929175.db2.gz	IXHZCIKCXBPATC-UHFFFAOYSA-N	0	3	219.328	3.157	40	10		BGCBHN
C[N@H+](Cc1ccccc1[O-])C1CCCCC1	ZINC000001710437	383929171	/nfs/dbraw/zinc/92/91/71/383929171.db2.gz	IXHZCIKCXBPATC-UHFFFAOYSA-N	0	3	219.328	3.157	40	10		BGCBHN
C[C@@H]([NH2+]C1CCCCC1)c1ccc(O)cc1[O-]	ZINC000001714968	383927501	/nfs/dbraw/zinc/92/75/01/383927501.db2.gz	GJKVJPZYMQXSOV-SNVBAGLBSA-N	0	3	235.327	3.081	40	10		BGCBHN
CN(C)c1ccc(/C=C/C2=CCN(C)CC2)cc1	ZINC000005003320	384095084	/nfs/dbraw/zinc/09/50/84/384095084.db2.gz	PPYMVOLPVMJVPL-SNAWJCMRSA-N	0	3	242.366	3.028	40	10		BGCBHN
Cc1cc(CN(C)C)c(C)n1-c1ccccc1	ZINC000005930650	342771421	/nfs/dbraw/zinc/77/14/21/342771421.db2.gz	PJVDAMDKXBEUFX-UHFFFAOYSA-N	0	3	228.339	3.156	40	10		BGCBHN
C[C@H]([NH2+]C1CCCCC1)c1ccc(O)cc1[O-]	ZINC000006487619	384156491	/nfs/dbraw/zinc/15/64/91/384156491.db2.gz	GJKVJPZYMQXSOV-JTQLQIEISA-N	0	3	235.327	3.081	40	10		BGCBHN
CCN(Cc1ccco1)Cc1ccccc1O	ZINC000013993021	342875237	/nfs/dbraw/zinc/87/52/37/342875237.db2.gz	QAHITFWUFPBECV-UHFFFAOYSA-N	0	3	231.295	3.007	40	10		BGCBHN
CC(C)CN(CC(C)C)c1ccc(N)cc1	ZINC000057580333	343789395	/nfs/dbraw/zinc/78/93/95/343789395.db2.gz	UKKXAOCIYFAEBL-UHFFFAOYSA-N	0	3	220.360	3.387	40	10		BGCBHN
O=[N+]([N-]Cc1ccccc1)c1ccccc1	ZINC000104387986	384823789	/nfs/dbraw/zinc/82/37/89/384823789.db2.gz	KKEXMFAUZLNVBB-UHFFFAOYSA-N	0	3	212.252	3.481	40	10		BGCBHN
C[C@@H]1CC(C)(C)N(C)c2cc(F)c(CN)cc21	ZINC000223780938	386100621	/nfs/dbraw/zinc/10/06/21/386100621.db2.gz	PTVRSMLWEKJDKV-SECBINFHSA-N	0	3	236.334	3.006	40	10		BGCBHN
C[C@H]1CC(C)(C)N(C)c2cc(F)c(CN)cc21	ZINC000223780993	386100020	/nfs/dbraw/zinc/10/00/20/386100020.db2.gz	PTVRSMLWEKJDKV-VIFPVBQESA-N	0	3	236.334	3.006	40	10		BGCBHN
CCN1c2cc(F)c(CN)cc2C(C)=CC1(C)C	ZINC000223796340	386101972	/nfs/dbraw/zinc/10/19/72/386101972.db2.gz	QYVXDGCBYDDOAI-UHFFFAOYSA-N	0	3	248.345	3.306	40	10		BGCBHN
CNCc1cc2c(cc1F)N(C)C(C)(C)C=C2C	ZINC000223798280	386101898	/nfs/dbraw/zinc/10/18/98/386101898.db2.gz	FYJIVMCHXLFOJW-UHFFFAOYSA-N	0	3	248.345	3.177	40	10		BGCBHN
Cc1cc(CN(C)C)c(C)n1-c1ccc(C)cc1	ZINC000226033179	178346541	/nfs/dbraw/zinc/34/65/41/178346541.db2.gz	HPNFTPAAEQFSAL-UHFFFAOYSA-N	0	3	242.366	3.464	40	10		BGCBHN