smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)o1	ZINC000037280541	525935704	/nfs/dbraw/zinc/93/57/04/525935704.db2.gz	HSUVFICTQZEZRE-KBPBESRZSA-N	0	1	272.392	4.066	10	10		CICEMN
CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-]	ZINC000020523252	171236028	/nfs/dbraw/zinc/23/60/28/171236028.db2.gz	IQQCKOHRBMWQON-CHWSQXEVSA-N	0	1	257.377	4.241	10	10		CICEMN
C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)[C@H](C)C1	ZINC000005735717	170135290	/nfs/dbraw/zinc/13/52/90/170135290.db2.gz	UUUCDNVNAZOHPC-ZIAGYGMSSA-N	0	1	269.388	4.166	10	10		CICEMN
C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)[C@H](C)C1	ZINC000005735717	170135291	/nfs/dbraw/zinc/13/52/91/170135291.db2.gz	UUUCDNVNAZOHPC-ZIAGYGMSSA-N	0	1	269.388	4.166	10	10		CICEMN
C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cccc(F)c1	ZINC000020147935	171035390	/nfs/dbraw/zinc/03/53/90/171035390.db2.gz	CUVJHGQDFKBZQO-JTQLQIEISA-N	0	1	279.742	4.036	10	10		CICEMN
[O-]c1ccc2ccccc2c1C[NH2+]CC1CCCCC1	ZINC000037259579	173070177	/nfs/dbraw/zinc/07/01/77/173070177.db2.gz	XYSZUGGAXLSOCW-UHFFFAOYSA-N	0	1	269.388	4.215	10	10		CICEMN
C[C@@H](N[C@@H](C)c1cc(O)ccc1O)c1ccccc1Cl	ZINC000020124082	171005761	/nfs/dbraw/zinc/00/57/61/171005761.db2.gz	WQKVCFORRFEEND-MNOVXSKESA-N	0	1	291.778	4.163	10	10		CICEMN
CC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cccs1	ZINC000049529019	522640727	/nfs/dbraw/zinc/64/07/27/522640727.db2.gz	UDWHEHWEGWFVJB-LBPRGKRZSA-N	0	1	281.808	4.348	10	10		CICEMN
[O-]c1ccccc1C1([NH+]2CCCCC2)CCCCC1	ZINC000006095246	170176341	/nfs/dbraw/zinc/17/63/41/170176341.db2.gz	HYRXMRJOHRWNFJ-UHFFFAOYSA-N	0	1	259.393	4.038	10	10		CICEMN
C[C@@H]1CCC[C@@H]([NH2+]Cc2c([O-])ccc3ccccc32)C1	ZINC000037254317	173065128	/nfs/dbraw/zinc/06/51/28/173065128.db2.gz	GEYAQLWCGKPSLK-UKRRQHHQSA-N	0	1	269.388	4.214	10	10		CICEMN
C[C@H]1CCC[C@@H]([NH2+]Cc2c([O-])ccc3ccccc32)C1	ZINC000037254319	173065524	/nfs/dbraw/zinc/06/55/24/173065524.db2.gz	GEYAQLWCGKPSLK-DZGCQCFKSA-N	0	1	269.388	4.214	10	10		CICEMN
CC1CCC(CC[NH2+]Cc2cc(Cl)ccc2[O-])CC1	ZINC000070538585	567888770	/nfs/dbraw/zinc/88/87/70/567888770.db2.gz	FDQRPGOMLYGMQS-UHFFFAOYSA-N	0	1	281.827	4.352	10	10		CICEMN
Cc1ccc([C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)o1	ZINC000037280543	525746691	/nfs/dbraw/zinc/74/66/91/525746691.db2.gz	HSUVFICTQZEZRE-ZIAGYGMSSA-N	0	1	272.392	4.066	10	10		CICEMN
Cc1ccccc1[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-]	ZINC000020126255	171010163	/nfs/dbraw/zinc/01/01/63/171010163.db2.gz	UISDJOXDDKIERW-LBPRGKRZSA-N	0	1	275.779	4.205	10	10		CICEMN
C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cccc(F)c1	ZINC000020147934	171035554	/nfs/dbraw/zinc/03/55/54/171035554.db2.gz	CUVJHGQDFKBZQO-SNVBAGLBSA-N	0	1	279.742	4.036	10	10		CICEMN
C[C@H]1CCCC[C@H]1[NH2+]Cc1c([O-])ccc2ccccc21	ZINC000020566243	171254295	/nfs/dbraw/zinc/25/42/95/171254295.db2.gz	LOTSTPSNYXGJDY-SUMWQHHRSA-N	0	1	269.388	4.214	10	10		CICEMN
C[C@H]1CCCC[C@@H]1[NH2+]Cc1c([O-])ccc2ccccc21	ZINC000020566241	171254537	/nfs/dbraw/zinc/25/45/37/171254537.db2.gz	LOTSTPSNYXGJDY-GUYCJALGSA-N	0	1	269.388	4.214	10	10		CICEMN
C[C@H]1CCC[C@H]([NH2+]Cc2c([O-])ccc3ccccc32)C1	ZINC000037254315	173065451	/nfs/dbraw/zinc/06/54/51/173065451.db2.gz	GEYAQLWCGKPSLK-ZFWWWQNUSA-N	0	1	269.388	4.214	10	10		CICEMN
Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)o1	ZINC000037280539	525741917	/nfs/dbraw/zinc/74/19/17/525741917.db2.gz	HSUVFICTQZEZRE-UONOGXRCSA-N	0	1	272.392	4.066	10	10		CICEMN
Cc1ccccc1[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-]	ZINC000020126254	171010341	/nfs/dbraw/zinc/01/03/41/171010341.db2.gz	UISDJOXDDKIERW-GFCCVEGCSA-N	0	1	275.779	4.205	10	10		CICEMN
CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-]	ZINC000020523250	171236039	/nfs/dbraw/zinc/23/60/39/171236039.db2.gz	IQQCKOHRBMWQON-STQMWFEESA-N	0	1	257.377	4.241	10	10		CICEMN
C[C@@H]1CCC[C@H]([NH2+]Cc2c([O-])ccc3ccccc32)C1	ZINC000037254313	173065355	/nfs/dbraw/zinc/06/53/55/173065355.db2.gz	GEYAQLWCGKPSLK-HIFRSBDPSA-N	0	1	269.388	4.214	10	10		CICEMN
Cc1ccc([C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])o1	ZINC000184881084	262032622	/nfs/dbraw/zinc/03/26/22/262032622.db2.gz	LOKDUIPJOJPYFO-MNOVXSKESA-N	0	1	279.767	4.359	10	10		CICEMN
COc1ccc([N+](=O)[O-])cc1NN=C1C=C(C)C=CC1=O	ZINC000005681232	170128134	/nfs/dbraw/zinc/12/81/34/170128134.db2.gz	QJVVFCLHPHOIKZ-FOCLMDBBSA-N	0	1	287.275	4.033	10	10		CICEMN
Oc1cccc(NCc2cc(Cl)cc(Cl)c2O)c1	ZINC000020193781	171059525	/nfs/dbraw/zinc/05/95/25/171059525.db2.gz	ULLZAMTVOZULLR-UHFFFAOYSA-N	0	1	284.142	4.017	10	10		CICEMN
C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c([O-])ccc2ccccc21	ZINC000020566240	171254351	/nfs/dbraw/zinc/25/43/51/171254351.db2.gz	LOTSTPSNYXGJDY-DYVFJYSZSA-N	0	1	269.388	4.214	10	10		CICEMN
CC(C)CCC[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-]	ZINC000021034071	171292423	/nfs/dbraw/zinc/29/24/23/171292423.db2.gz	GIYPCUSAHZLCMP-LBPRGKRZSA-N	0	1	269.816	4.350	10	10		CICEMN
CCc1ccc(NN=C2C=CC(=O)c3[nH]cnc32)cc1	ZINC000005985101	170165423	/nfs/dbraw/zinc/16/54/23/170165423.db2.gz	OGZVVYWFDOHGKZ-VHEBQXMUSA-N	0	1	266.304	4.246	10	10		CICEMN
CC(C)CCC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-]	ZINC000021034066	171292310	/nfs/dbraw/zinc/29/23/10/171292310.db2.gz	GIYPCUSAHZLCMP-GFCCVEGCSA-N	0	1	269.816	4.350	10	10		CICEMN
Cc1ccc([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)o1	ZINC000037280545	525942656	/nfs/dbraw/zinc/94/26/56/525942656.db2.gz	HSUVFICTQZEZRE-KGLIPLIRSA-N	0	1	272.392	4.066	10	10		CICEMN
C[C@@H]1CCCC[C@H]1[NH2+]Cc1c([O-])ccc2ccccc21	ZINC000020566242	171254372	/nfs/dbraw/zinc/25/43/72/171254372.db2.gz	LOTSTPSNYXGJDY-CXAGYDPISA-N	0	1	269.388	4.214	10	10		CICEMN
CC(C)C[C@H](C)[NH2+]Cc1c([O-])ccc2ccccc21	ZINC000037264348	173073137	/nfs/dbraw/zinc/07/31/37/173073137.db2.gz	ORCUDPAJZXEFLJ-ZDUSSCGKSA-N	0	1	257.377	4.070	10	10		CICEMN
Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])o1	ZINC000184881053	262032266	/nfs/dbraw/zinc/03/22/66/262032266.db2.gz	LOKDUIPJOJPYFO-QWRGUYRKSA-N	0	1	279.767	4.359	10	10		CICEMN
C[C@@H](N[C@H](C)c1ccccc1Cl)c1cc(O)ccc1O	ZINC000020124084	171005929	/nfs/dbraw/zinc/00/59/29/171005929.db2.gz	WQKVCFORRFEEND-GHMZBOCLSA-N	0	1	291.778	4.163	10	10		CICEMN
CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-]	ZINC000020523248	171236045	/nfs/dbraw/zinc/23/60/45/171236045.db2.gz	IQQCKOHRBMWQON-OLZOCXBDSA-N	0	1	257.377	4.241	10	10		CICEMN
CC(C)[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-]	ZINC000020523254	171236071	/nfs/dbraw/zinc/23/60/71/171236071.db2.gz	IQQCKOHRBMWQON-QWHCGFSZSA-N	0	1	257.377	4.241	10	10		CICEMN
COc1ccc(OC)c(N=Nc2cc(C)ccc2O)c1	ZINC000005681228	170128017	/nfs/dbraw/zinc/12/80/17/170128017.db2.gz	PRXJHYGLTGBTIZ-WUKNDPDISA-N	0	1	272.304	4.133	10	10		CICEMN
C[C@H](N[C@@H](C)c1ccccc1Cl)c1cc(O)ccc1O	ZINC000020124083	171005707	/nfs/dbraw/zinc/00/57/07/171005707.db2.gz	WQKVCFORRFEEND-QWRGUYRKSA-N	0	1	291.778	4.163	10	10		CICEMN
CC(C)C[C@@H](C)[NH2+]Cc1c([O-])ccc2ccccc21	ZINC000037264347	173073197	/nfs/dbraw/zinc/07/31/97/173073197.db2.gz	ORCUDPAJZXEFLJ-CYBMUJFWSA-N	0	1	257.377	4.070	10	10		CICEMN
Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])o1	ZINC000184881035	262032731	/nfs/dbraw/zinc/03/27/31/262032731.db2.gz	LOKDUIPJOJPYFO-WDEREUQCSA-N	0	1	279.767	4.359	10	10		CICEMN
C[C@@H](N[C@@H](C)c1ccccc1Cl)c1cc(O)ccc1O	ZINC000020124085	171005752	/nfs/dbraw/zinc/00/57/52/171005752.db2.gz	WQKVCFORRFEEND-WDEREUQCSA-N	0	1	291.778	4.163	10	10		CICEMN
Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])o1	ZINC000184881070	262032432	/nfs/dbraw/zinc/03/24/32/262032432.db2.gz	LOKDUIPJOJPYFO-GHMZBOCLSA-N	0	1	279.767	4.359	10	10		CICEMN
CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cccs1	ZINC000049529020	522871531	/nfs/dbraw/zinc/87/15/31/522871531.db2.gz	UDWHEHWEGWFVJB-GFCCVEGCSA-N	0	1	281.808	4.348	10	10		CICEMN