smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CN2CCC3(CCC[N@H+](Cc4ccc(C)cc4)C3)CC2)cc1	ZINC000096047379	571097191	/nfs/dbraw/zinc/09/71/91/571097191.db2.gz	UTZHUUUJOXHSLP-UHFFFAOYSA-N	1	3	378.560	4.882	40	0		GJABHO
COc1ccc(CN2CCC3(CCC[N@@H+](Cc4ccc(C)cc4)C3)CC2)cc1	ZINC000096047379	571097195	/nfs/dbraw/zinc/09/71/95/571097195.db2.gz	UTZHUUUJOXHSLP-UHFFFAOYSA-N	1	3	378.560	4.882	40	0		GJABHO
CC[NH+](CC)Cc1ccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1	ZINC000039763696	570446033	/nfs/dbraw/zinc/44/60/33/570446033.db2.gz	BRLIYFAWGHJRPZ-UHFFFAOYSA-N	1	3	393.575	4.688	40	0		GJABHO
Cc1nc2c(n1C(C)C)CN(CC1CC1)CC21CC[NH+](Cc2ccccc2)CC1	ZINC000306136214	206202882	/nfs/dbraw/zinc/20/28/82/206202882.db2.gz	PNAKXLPHIRZKCD-UHFFFAOYSA-N	1	3	392.591	4.532	40	0		GJABHO
COc1cc(C[NH2+]CCCN(C)C)cc(Cl)c1OCc1ccc(Cl)cc1	ZINC000008373831	570529626	/nfs/dbraw/zinc/52/96/26/570529626.db2.gz	DLSAIXUAOSERTN-UHFFFAOYSA-N	1	3	397.346	4.622	40	0		GJABHO
C[NH2+]C[C@H]1CC[C@H](c2cc(CN(C)CC[C@@H](C)c3ccccc3)n(C)n2)CC1	ZINC000100687704	211388360	/nfs/dbraw/zinc/38/83/60/211388360.db2.gz	NZDNDERJOJHPRF-SJBKTWHCSA-N	1	3	382.596	4.539	40	0		GJABHO
COc1cccc(C[NH+]2CCC3(CCN(Cc4ccc(F)cc4)CC3)CC2)c1	ZINC000096047246	211296634	/nfs/dbraw/zinc/29/66/34/211296634.db2.gz	LEHMHNIBRLCAIP-UHFFFAOYSA-N	1	3	382.523	4.713	40	0		GJABHO
C[NH+](C)C1CCC2(CC1)CN(Cc1c[nH]c3ccccc13)Cc1ccccc1O2	ZINC000019583947	571014825	/nfs/dbraw/zinc/01/48/25/571014825.db2.gz	KHVSUKCWYBHTJH-UHFFFAOYSA-N	1	3	389.543	4.806	40	0		GJABHO
CC[NH+](CC)Cc1ccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1	ZINC000039758174	570449498	/nfs/dbraw/zinc/44/94/98/570449498.db2.gz	DQFPYWSLTSIBSZ-UHFFFAOYSA-N	1	3	393.575	4.688	40	0		GJABHO
CC(C)(CN1CCCCC1)C(=O)C[C@H](SCC[NH3+])c1ccc(Cl)cc1	ZINC000005714966	570452670	/nfs/dbraw/zinc/45/26/70/570452670.db2.gz	LMVNYERSUUNDTO-SFHVURJKSA-N	1	3	383.001	4.544	40	0		GJABHO
C[NH2+]C1CCC2(CC1)CN(Cc1cccc(OC(C)C)c1)Cc1ccccc1O2	ZINC000019450913	210247845	/nfs/dbraw/zinc/24/78/45/210247845.db2.gz	IYOIZLNTBIMGHB-UHFFFAOYSA-N	1	3	394.559	4.769	40	0		GJABHO
C[NH2+]C[C@H]1CC[C@H](c2cc(CN(C)CC[C@H](C)c3ccccc3)n(C)n2)CC1	ZINC000100687705	570274976	/nfs/dbraw/zinc/27/49/76/570274976.db2.gz	NZDNDERJOJHPRF-JAXLGGSGSA-N	1	3	382.596	4.539	40	0		GJABHO
COc1cc(C[NH2+]CCCN(C)C)cc(Cl)c1OCc1ccccc1Cl	ZINC000008373833	570530082	/nfs/dbraw/zinc/53/00/82/570530082.db2.gz	TYNLYANALUXMQH-UHFFFAOYSA-N	1	3	397.346	4.622	40	0		GJABHO
C[NH2+]C[C@H]1CC[C@H](c2cc(CN(C)CC[C@@H](C)c3ccccc3)n(C)n2)CC1	ZINC000257277729	570900703	/nfs/dbraw/zinc/90/07/03/570900703.db2.gz	NZDNDERJOJHPRF-KCZVDYSFSA-N	1	3	382.596	4.539	40	0		GJABHO
C[NH2+]C1CCC2(CC1)CN(Cc1ccc3ncccc3c1)Cc1ccccc1O2	ZINC000019592014	571019237	/nfs/dbraw/zinc/01/92/37/571019237.db2.gz	WUZREMJOKVIJKB-UHFFFAOYSA-N	1	3	387.527	4.530	40	0		GJABHO
CN(C)Cc1ccc(OCCCCCCOc2ccc(C[NH+](C)C)cc2)cc1	ZINC000248149923	570443940	/nfs/dbraw/zinc/44/39/40/570443940.db2.gz	XBKXUDARFVPOLJ-UHFFFAOYSA-N	1	3	384.564	4.828	40	0		GJABHO
C[NH2+]C1CCC2(CC1)CN(Cc1ccc(OC(C)C)cc1)Cc1ccccc1O2	ZINC000019450690	570985102	/nfs/dbraw/zinc/98/51/02/570985102.db2.gz	WMLZXRSOEFPTOS-UHFFFAOYSA-N	1	3	394.559	4.769	40	0		GJABHO
C[NH2+]C[C@H]1CC[C@H](c2cc(CN(C)CC[C@H](C)c3ccccc3)n(C)n2)CC1	ZINC000257277730	570900541	/nfs/dbraw/zinc/90/05/41/570900541.db2.gz	NZDNDERJOJHPRF-ONTIZHBOSA-N	1	3	382.596	4.539	40	0		GJABHO
COc1ccc(CN2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)cc1	ZINC000096047262	208254880	/nfs/dbraw/zinc/25/48/80/208254880.db2.gz	YAOHEKFLMJPMJH-UHFFFAOYSA-N	1	3	378.560	4.882	40	0		GJABHO
COc1cccc(CN2CCC3(CC2)CC[NH+](Cc2ccc(C)s2)CC3)c1	ZINC000096047245	208256423	/nfs/dbraw/zinc/25/64/23/208256423.db2.gz	VKODVGGKFFHEQD-UHFFFAOYSA-N	1	3	384.589	4.943	40	0		GJABHO
CC(C)(CN1CCCCC1)C(=O)C[C@@H](SCC[NH3+])c1ccc(Cl)cc1	ZINC000005714969	570452683	/nfs/dbraw/zinc/45/26/83/570452683.db2.gz	LMVNYERSUUNDTO-GOSISDBHSA-N	1	3	383.001	4.544	40	0		GJABHO
C[NH2+]C1CCC2(CC1)CN(Cc1cccc3ncccc13)Cc1ccccc1O2	ZINC000019591990	207141477	/nfs/dbraw/zinc/14/14/77/207141477.db2.gz	OTNKSFOLJJPTEF-UHFFFAOYSA-N	1	3	387.527	4.530	40	0		GJABHO
COc1ccc(C[NH+]2CCC3(CCN(Cc4cccc(F)c4)CC3)CC2)cc1	ZINC000096047235	222374459	/nfs/dbraw/zinc/37/44/59/222374459.db2.gz	HILURGVOOHVLAV-UHFFFAOYSA-N	1	3	382.523	4.713	40	0		GJABHO