smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1ccc(C[NH+]2CCCCC2)cc1C1CCC1)c1ccc(C[NH+]2CCCCC2)cc1C1CCC1	ZINC000095933773	129940506	/nfs/dbraw/zinc/94/05/06/129940506.db2.gz	HXRLWNPGQXOGRN-UHFFFAOYSA-N	2	0	484.728	7.424	10	0		JKAERP
CC[C@H]1C[N@@H+]2CCc3c(O)c(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCc2c3ccccc3[nH]c21	ZINC000004098011	560195203	/nfs/dbraw/zinc/19/52/03/560195203.db2.gz	BZIKDLPHKDIUHH-PCYHDRSOSA-N	2	0	475.633	5.113	10	0	in-vitro	JKAERP
C[NH2+]CCc1c2ccccc2[nH]c1[C@@H]1[C@@H]2[C@H](C=C(C)CC2(C)C)[C@]23Nc4ccccc4[C@]12CC[N@@H+]3C	ZINC000004097888	560195151	/nfs/dbraw/zinc/19/51/51/560195151.db2.gz	PHMBUGRSZKDHNS-QGEDZZHQSA-N	2	0	480.700	6.031	10	0	in-vitro	JKAERP
C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@@]3(C[C@@]4(CS3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3C4)CC[C@@H]12	ZINC000004098477	562932336	/nfs/dbraw/zinc/93/23/36/562932336.db2.gz	WBMOHCBEBDKSBI-JYZUVFRYSA-N	2	0	494.745	7.306	10	0	in-vitro	JKAERP
Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H]([NH3+])c1ccc(OCc2ccccc2)cc1	ZINC000077273044	569705362	/nfs/dbraw/zinc/70/53/62/569705362.db2.gz	KVFFIPPYDYAULM-BXGNMYTQSA-N	2	0	473.665	5.547	10	0	in-vitro	JKAERP
C[NH+](C)CCCC1(CCC[NH+](C)C)c2cc(Br)ccc2-c2ccc(Br)cc21	ZINC000095830644	569728892	/nfs/dbraw/zinc/72/88/92/569728892.db2.gz	RJIWYGUYDXBQCJ-UHFFFAOYSA-N	2	0	494.315	6.162	10	0		JKAERP
CCCC[NH+](CCCC)CCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000013733972	555605514	/nfs/dbraw/zinc/60/55/14/555605514.db2.gz	XQVRXGKRINOIBV-UHFFFAOYSA-N	2	0	474.520	7.378	10	0		JKAERP
COc1cccc(C[C@@H](C2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)[N@H+](C)Cc2ccncc2)c1	ZINC000011790147	555825634	/nfs/dbraw/zinc/82/56/34/555825634.db2.gz	QDEYCUDENKAVDF-HKBQPEDESA-N	2	0	495.671	5.231	10	0		JKAERP
[NH2+]=C(NC1CCCCC1)c1ccc(-c2ccc(-c3ccc(C(=[NH2+])NC4CCCCC4)cc3)o2)cc1	ZINC000028265390	563059543	/nfs/dbraw/zinc/05/95/43/563059543.db2.gz	UJNPVYRWQJDTBO-UHFFFAOYSA-N	2	0	468.645	7.109	10	0		JKAERP
C[N@H+](Cc1ccc(OC[C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)cc1)Cc1cccc2ccccc21	ZINC000014993739	523272511	/nfs/dbraw/zinc/27/25/11/523272511.db2.gz	UJVSRSNTIPAUEX-SANMLTNESA-N	2	0	499.699	5.431	10	0		JKAERP
COc1cccc(C[C@H](C2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)[N@H+](C)Cc2ccncc2)c1	ZINC000011790148	555825669	/nfs/dbraw/zinc/82/56/69/555825669.db2.gz	QDEYCUDENKAVDF-WJOKGBTCSA-N	2	0	495.671	5.231	10	0		JKAERP
c1ccc2c[n+](CCCCCCCCCCCCCCCC[n+]3ccc4ccccc4c3)ccc2c1	ZINC000004216454	562932841	/nfs/dbraw/zinc/93/28/41/562932841.db2.gz	BKNJRWQHBQLPAQ-UHFFFAOYSA-N	2	0	482.756	8.730	10	0	in-man	JKAERP
COc1cccc(-c2nc3cc(Cl)ccc3cc2C[NH2+]C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1OC	ZINC000064609605	569622957	/nfs/dbraw/zinc/62/29/57/569622957.db2.gz	RHENZTAMNRYXLL-NBGIEHNGSA-N	2	0	480.052	5.927	10	0		JKAERP
C[N@H+](Cc1ccc(OC[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)cc1)Cc1cccc2ccccc21	ZINC000014993737	523271591	/nfs/dbraw/zinc/27/15/91/523271591.db2.gz	UJVSRSNTIPAUEX-AREMUKBSSA-N	2	0	499.699	5.431	10	0		JKAERP
CC1=C[C@H]2[C@@H]([C@@H](c3[nH]c4ccccc4c3CC[NH+](C)C)[C@]34CC[N@H+](C)[C@]23Nc2ccccc24)C(C)(C)C1	ZINC000004097861	560194964	/nfs/dbraw/zinc/19/49/64/560194964.db2.gz	RTHNIWHULJBNTJ-BXFVMDGOSA-N	2	0	494.727	6.373	10	0	in-vitro	JKAERP
CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1Cc1nccc2cc(OC)c(OC)cc21	ZINC000004098078	560195190	/nfs/dbraw/zinc/19/51/90/560195190.db2.gz	MBYXEBXZARTUSS-HMHJJOSWSA-N	2	0	476.617	5.457	10	0	in-vitro	JKAERP
CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCc2c3ccccc3[nH]c21	ZINC000004102226	560196675	/nfs/dbraw/zinc/19/66/75/560196675.db2.gz	AVJZNOIWPGXYKM-LXFCCGDJSA-N	2	0	459.634	5.408	10	0	in-vitro	JKAERP