smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH2+]CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1	ZINC000027628866	207328540	/nfs/dbraw/zinc/32/85/40/207328540.db2.gz	DPANAKKCKYNGAY-UHFFFAOYSA-N	1	3	389.975	3.307	1	0		GGAFHO
COc1ccc2[n+](c1OCCCN1CCCCC1)CCc1cc3c(cc1-2)OCO3	ZINC000028865089	207350089	/nfs/dbraw/zinc/35/00/89/207350089.db2.gz	CPKXWWLAEIQOQK-UHFFFAOYSA-N	1	3	397.495	3.189	1	0		GGAFHO
O=C([C@@H]1CC12CCN(c1cc[nH+]cc1)CC2)N1CCN(C2CCCCC2)CC1	ZINC000103243020	136191055	/nfs/dbraw/zinc/19/10/55/136191055.db2.gz	VBIOHMFBWGEKCI-NRFANRHFSA-N	1	3	382.552	3.165	1	0		GGAFHO
N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1	ZINC000064540813	136156929	/nfs/dbraw/zinc/15/69/29/136156929.db2.gz	OCTVWEVIBKBYAN-LJQANCHMSA-N	1	3	394.906	3.107	1	0		GGAFHO
COCC[NH+]1CCC(CN(Cc2ccncc2)Cc2ccc3c(c2)CCO3)CC1	ZINC000011820480	204355764	/nfs/dbraw/zinc/35/57/64/204355764.db2.gz	GYZRQJXIOISRNV-UHFFFAOYSA-N	1	3	395.547	3.377	1	0		GGAFHO
COc1ccc2cc3[n+](cc2c1NCCN(C)C)CCc1cc2c(cc1-3)OCO2	ZINC000040424341	205065918	/nfs/dbraw/zinc/06/59/18/205065918.db2.gz	QJGCWQARRDLNMI-UHFFFAOYSA-O	1	3	392.479	3.061	1	0		GGAFHO
COc1ccc2cc3[n+](cc2c1OCCN(C)C)CCc1cc2c(cc1-3)OCO2	ZINC000064513256	205190665	/nfs/dbraw/zinc/19/06/65/205190665.db2.gz	ACFGIAIKUVAQNZ-UHFFFAOYSA-N	1	3	393.463	3.028	1	0		GGAFHO
O=C([C@H]1CC12CCN(c1cc[nH+]cc1)CC2)N1CCN(C2CCCCC2)CC1	ZINC000103243018	136191034	/nfs/dbraw/zinc/19/10/34/136191034.db2.gz	VBIOHMFBWGEKCI-OAQYLSRUSA-N	1	3	382.552	3.165	1	0		GGAFHO
[NH3+]CCCCOc1ccccc1CNC[C@H](O)c1cc(Br)cs1	ZINC000014967019	221322504	/nfs/dbraw/zinc/32/25/04/221322504.db2.gz	CXISKZTXKGURIN-HNNXBMFYSA-N	1	3	399.354	3.452	1	0		GGAFHO
CCC[N@H+](CCN1CCN(c2ccncc2)CC1)[C@H]1CCc2ccc(O)cc2C1	ZINC000064415807	136156615	/nfs/dbraw/zinc/15/66/15/136156615.db2.gz	JBAHBJRMOBCAFP-QHCPKHFHSA-N	1	3	394.563	3.179	1	0		GGAFHO
CCC[N@@H+](CCN1CCN(c2ccncc2)CC1)[C@H]1CCc2ccc(O)cc2C1	ZINC000064415807	136156616	/nfs/dbraw/zinc/15/66/16/136156616.db2.gz	JBAHBJRMOBCAFP-QHCPKHFHSA-N	1	3	394.563	3.179	1	0		GGAFHO