smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1CNc1ccc2c(c1)[nH+]cn2C1CCCCC1	ZINC000000204081	563259339	/nfs/dbraw/zinc/25/93/39/563259339.db2.gz	XYSMDOXKQNDQIT-UHFFFAOYSA-N	1	1	335.451	5.162	50	10		EKCAMO
COc1ccc(CNc2ccc3c(c2)[nH+]cn3C2CCCCC2)cc1	ZINC000000204089	563988351	/nfs/dbraw/zinc/98/83/51/563988351.db2.gz	HUAAGNQVAWWPLR-UHFFFAOYSA-N	1	1	335.451	5.162	50	10		EKCAMO
CC(C)(C)n1c[nH+]c2cc(NCc3cccc4ccccc43)ccc21	ZINC000000249584	563989458	/nfs/dbraw/zinc/98/94/58/563989458.db2.gz	DUIFDPYZTSTBSC-UHFFFAOYSA-N	1	1	329.447	5.557	50	10		EKCAMO
COc1cccc(CNc2ccc3c(c2)[nH+]cn3C2CCCCC2)c1	ZINC000000350008	563289105	/nfs/dbraw/zinc/28/91/05/563289105.db2.gz	FEYRNGBQGFMFNG-UHFFFAOYSA-N	1	1	335.451	5.162	50	10		EKCAMO
CN(C)c1ccc(CNc2ccc3c(c2)[nH+]cn3C2CCCCC2)cc1	ZINC000000549995	563344872	/nfs/dbraw/zinc/34/48/72/563344872.db2.gz	OURYSUIEJJUHCI-UHFFFAOYSA-N	1	1	348.494	5.220	50	10		EKCAMO
CCCn1c[nH+]c2cc(NCc3ccc(Cl)cc3Cl)ccc21	ZINC000003907438	210090938	/nfs/dbraw/zinc/09/09/38/210090938.db2.gz	PWEPSIFNTIQCNN-UHFFFAOYSA-N	1	1	334.250	5.365	50	10		EKCAMO
CC(C)(C)n1c[nH+]c2cc(NCc3ccc(Cl)cc3Cl)ccc21	ZINC000003907439	210091488	/nfs/dbraw/zinc/09/14/88/210091488.db2.gz	FNVMRAASDCNJFV-UHFFFAOYSA-N	1	1	348.277	5.710	50	10		EKCAMO
Clc1ccc(CNc2ccc3c(c2)[nH+]cn3C2CCCCC2)cc1	ZINC000004901570	210315616	/nfs/dbraw/zinc/31/56/16/210315616.db2.gz	VBOANDZMUZGJFT-UHFFFAOYSA-N	1	1	339.870	5.807	50	10		EKCAMO
C[N@@H+](Cc1ccccc1)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O	ZINC000004987577	210351562	/nfs/dbraw/zinc/35/15/62/210351562.db2.gz	ZWDUMIBRDHSDRN-UHFFFAOYSA-N	1	1	339.523	5.619	50	10		EKCAMO
CCOc1ccc(CNc2ccc3c(c2)[nH+]cn3C2CCCCC2)cc1	ZINC000006690904	210680758	/nfs/dbraw/zinc/68/07/58/210680758.db2.gz	LXNYYQRECNQEAE-UHFFFAOYSA-N	1	1	349.478	5.552	50	10		EKCAMO
C[N@@H+](Cc1ccccc1Cl)Cc1cc(Cl)c2ccccc2c1O	ZINC000013074330	563687259	/nfs/dbraw/zinc/68/72/59/563687259.db2.gz	WKGYCCIGLVTRFK-UHFFFAOYSA-N	1	1	346.257	5.484	50	10		EKCAMO
C[C@@H]1CCCC[N@H+]1Cc1cc(-c2nc3ccccc3s2)ccc1O	ZINC000014995203	563771002	/nfs/dbraw/zinc/77/10/02/563771002.db2.gz	DOMWNLXQXNWXRT-CQSZACIVSA-N	1	1	338.476	5.043	50	10		EKCAMO
C[C@H]1CCCC[N@H+]1Cc1cc(-c2nc3ccccc3s2)ccc1O	ZINC000014995205	563770943	/nfs/dbraw/zinc/77/09/43/563770943.db2.gz	DOMWNLXQXNWXRT-AWEZNQCLSA-N	1	1	338.476	5.043	50	10		EKCAMO
CCCCC[NH+](CCCCC)Cc1cc(Cl)c2cccnc2c1O	ZINC000021486589	202065189	/nfs/dbraw/zinc/06/51/89/202065189.db2.gz	CGBMAQBSVNGNBR-UHFFFAOYSA-N	1	1	348.918	5.776	50	10		EKCAMO
Cc1ccsc1[C@@H]1CCCCC[N@H+]1Cc1cc(Cl)ccc1O	ZINC000033087114	563914916	/nfs/dbraw/zinc/91/49/16/563914916.db2.gz	DVJZXESPKWIKAH-INIZCTEOSA-N	1	1	335.900	5.533	50	10		EKCAMO
Cc1ccsc1[C@H]1CCCCC[N@H+]1Cc1cc(Cl)ccc1O	ZINC000033087115	563914892	/nfs/dbraw/zinc/91/48/92/563914892.db2.gz	DVJZXESPKWIKAH-MRXNPFEDSA-N	1	1	335.900	5.533	50	10		EKCAMO
Cc1ccc([C@@H]2CCCCC[N@H+]2Cc2cc(Cl)ccc2O)s1	ZINC000033087116	563915014	/nfs/dbraw/zinc/91/50/14/563915014.db2.gz	XKEBPOPQDZZNDE-INIZCTEOSA-N	1	1	335.900	5.533	50	10		EKCAMO
Cc1ccc([C@H]2CCCCC[N@H+]2Cc2cc(Cl)ccc2O)s1	ZINC000033087117	563914998	/nfs/dbraw/zinc/91/49/98/563914998.db2.gz	XKEBPOPQDZZNDE-MRXNPFEDSA-N	1	1	335.900	5.533	50	10		EKCAMO
CCOc1cccc(C[N@H+]2CCCCC[C@@H]2c2sccc2C)c1O	ZINC000033087244	563914968	/nfs/dbraw/zinc/91/49/68/563914968.db2.gz	NNLVGVKYISLPHV-QGZVFWFLSA-N	1	1	345.508	5.278	50	10		EKCAMO
CCOc1cccc(C[N@H+]2CCCCC[C@H]2c2sccc2C)c1O	ZINC000033087245	563914962	/nfs/dbraw/zinc/91/49/62/563914962.db2.gz	NNLVGVKYISLPHV-KRWDZBQOSA-N	1	1	345.508	5.278	50	10		EKCAMO
CCOc1cccc(C[N@H+]2CCCCC[C@@H]2c2ccc(C)s2)c1O	ZINC000033087246	563914926	/nfs/dbraw/zinc/91/49/26/563914926.db2.gz	HBRARILAQPAITN-QGZVFWFLSA-N	1	1	345.508	5.278	50	10		EKCAMO
CCOc1cccc(C[N@H+]2CCCCC[C@H]2c2ccc(C)s2)c1O	ZINC000033087247	202249148	/nfs/dbraw/zinc/24/91/48/202249148.db2.gz	HBRARILAQPAITN-KRWDZBQOSA-N	1	1	345.508	5.278	50	10		EKCAMO
CCOc1cccc(C[N@H+]2CCCCC[C@@H]2c2cccc(F)c2)c1O	ZINC000033087248	563915025	/nfs/dbraw/zinc/91/50/25/563915025.db2.gz	IAJODUKGVWDXTF-LJQANCHMSA-N	1	1	343.442	5.047	50	10		EKCAMO
CCOc1cccc(C[N@H+]2CCCCC[C@H]2c2cccc(F)c2)c1O	ZINC000033087249	563914898	/nfs/dbraw/zinc/91/48/98/563914898.db2.gz	IAJODUKGVWDXTF-IBGZPJMESA-N	1	1	343.442	5.047	50	10		EKCAMO
Oc1cc2c(cc1C[N@H+]1CCC[C@H](C(F)(F)F)C1)oc1ccccc12	ZINC000057535377	564154835	/nfs/dbraw/zinc/15/48/35/564154835.db2.gz	CWAIJMMWEOSQDA-ZDUSSCGKSA-N	1	1	349.352	5.066	50	10		EKCAMO
Oc1cc2c(cc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1)oc1ccccc12	ZINC000057535379	564154830	/nfs/dbraw/zinc/15/48/30/564154830.db2.gz	CWAIJMMWEOSQDA-CYBMUJFWSA-N	1	1	349.352	5.066	50	10		EKCAMO