smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Clc1ccc2c(c1)C([NH+]1CCCC1)=Cc1ccccc1S2	ZINC000002193124	563301443	/nfs/dbraw/zinc/30/14/43/563301443.db2.gz	QEOXREUACMOBLF-UHFFFAOYSA-N	1	1	313.853	5.399	50	10		DKCAMO
CCCCn1c[nH+]c2cc(NCc3ccc(Cl)cc3)ccc21	ZINC000002464948	563914680	/nfs/dbraw/zinc/91/46/80/563914680.db2.gz	QAJFOBRZFDHAIY-UHFFFAOYSA-N	1	1	313.832	5.102	50	10		DKCAMO
CC(C)n1c[nH+]c2cc(NCc3cccc4ccccc43)ccc21	ZINC000002464955	563914723	/nfs/dbraw/zinc/91/47/23/563914723.db2.gz	NTNGDBCLSLSOGC-UHFFFAOYSA-N	1	1	315.420	5.383	50	10		DKCAMO
CCCCn1c[nH+]c2cc(NCc3ccc(C(C)C)cc3)ccc21	ZINC000003907424	181055707	/nfs/dbraw/zinc/05/57/07/181055707.db2.gz	XQCPGPWKNUOVFW-UHFFFAOYSA-N	1	1	321.468	5.572	50	10		DKCAMO
CC(C)c1ccc(CNc2ccc3c(c2)[nH+]cn3C(C)(C)C)cc1	ZINC000003907425	181055676	/nfs/dbraw/zinc/05/56/76/181055676.db2.gz	NHGLOPAPKWAPAK-UHFFFAOYSA-N	1	1	321.468	5.527	50	10		DKCAMO
CCCCn1c[nH+]c2cc(NCc3ccccc3Cl)ccc21	ZINC000003907429	181056059	/nfs/dbraw/zinc/05/60/59/181056059.db2.gz	GLJSSPYTOFRPIJ-UHFFFAOYSA-N	1	1	313.832	5.102	50	10		DKCAMO
CC(C)(C)n1c[nH+]c2cc(NCc3ccccc3Cl)ccc21	ZINC000003907430	181055946	/nfs/dbraw/zinc/05/59/46/181055946.db2.gz	YHYKLBKNEWNXNZ-UHFFFAOYSA-N	1	1	313.832	5.057	50	10		DKCAMO
CCCC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)Cc1ccccc1	ZINC000004980733	181183371	/nfs/dbraw/zinc/18/33/71/181183371.db2.gz	UVGSMYUZMUIOJQ-FMIVXFBMSA-N	1	1	322.496	5.068	50	10		DKCAMO
Cc1ccc(CNc2ccc3c(c2)[nH+]cn3C2CCCCC2)cc1	ZINC000006721263	181376847	/nfs/dbraw/zinc/37/68/47/181376847.db2.gz	TWSLNIMQJKXKHA-UHFFFAOYSA-N	1	1	319.452	5.462	50	10		DKCAMO
Cc1cc(O)c(C[N@@H+]2CC=C(c3ccccc3)CC2)cc1C(C)C	ZINC000007015775	563901163	/nfs/dbraw/zinc/90/11/63/563901163.db2.gz	JXHDMMIHYVVZBH-UHFFFAOYSA-N	1	1	321.464	5.113	50	10		DKCAMO
CC[N@@H+](Cc1ccccc1)Cc1cc(-c2ccccc2)ccc1O	ZINC000012038353	563360784	/nfs/dbraw/zinc/36/07/84/563360784.db2.gz	YWHOIWQHPNDQON-UHFFFAOYSA-N	1	1	317.432	5.081	50	10		DKCAMO
Cc1cc(O)c(C[N@H+]2CCC[C@@H]2c2cccs2)cc1C(C)C	ZINC000014077893	563558856	/nfs/dbraw/zinc/55/88/56/563558856.db2.gz	PTVIFJDAPFMSHH-QGZVFWFLSA-N	1	1	315.482	5.223	50	10		DKCAMO
Cc1cc(O)c(C[N@H+]2CCC[C@H]2c2cccs2)cc1C(C)C	ZINC000014077895	563559003	/nfs/dbraw/zinc/55/90/03/563559003.db2.gz	PTVIFJDAPFMSHH-KRWDZBQOSA-N	1	1	315.482	5.223	50	10		DKCAMO
c1nc2ccc(Nc3c4ccccc4[nH+]c4ccccc43)cc2[nH]1	ZINC000026841340	563882898	/nfs/dbraw/zinc/88/28/98/563882898.db2.gz	AWWLLYZAVROLLZ-UHFFFAOYSA-N	1	1	310.360	5.008	50	10		DKCAMO
Oc1ccc(Cl)cc1C[N@H+]1CCCCC[C@@H]1c1cccs1	ZINC000033087112	563444244	/nfs/dbraw/zinc/44/42/44/563444244.db2.gz	JTLUZRIXBYUMGL-OAHLLOKOSA-N	1	1	321.873	5.224	50	10		DKCAMO
Oc1ccc(Cl)cc1C[N@H+]1CCCCC[C@H]1c1cccs1	ZINC000033087113	563444403	/nfs/dbraw/zinc/44/44/03/563444403.db2.gz	JTLUZRIXBYUMGL-HNNXBMFYSA-N	1	1	321.873	5.224	50	10		DKCAMO