smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CC[C@H](CNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(Cl)cc1	ZINC000001700326	557281445	/nfs/dbraw/zinc/28/14/45/557281445.db2.gz	DSMFZNJRJXGJSS-GOSISDBHSA-N	2	1	416.396	6.469	40	0		HKABMP
CC[NH+](CC)CC[C@H](CNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(OC)cc1	ZINC000001706248	557281894	/nfs/dbraw/zinc/28/18/94/557281894.db2.gz	ONWXIFYYIJRKRF-LJQANCHMSA-N	2	1	411.977	5.824	40	0		HKABMP
CC[NH+](CC)Cc1cc(O)ccc1NCCCNc1cc[nH+]c2cc(Cl)ccc12	ZINC000001728955	557283213	/nfs/dbraw/zinc/28/32/13/557283213.db2.gz	AMYCEDJOERJLHV-UHFFFAOYSA-N	2	1	412.965	5.350	40	0		HKABMP
CC[NH+](CC)CCC[C@H](C)[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(Cl)cc1	ZINC000001873684	557293477	/nfs/dbraw/zinc/29/34/77/557293477.db2.gz	QEENPCKLFQIRPP-RDPSFJRHSA-N	2	1	403.010	5.386	40	0		HKABMP
CC[NH+](CC)CC[C@@H](CNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(OC)cc1	ZINC000002042679	557300118	/nfs/dbraw/zinc/30/01/18/557300118.db2.gz	ONWXIFYYIJRKRF-IBGZPJMESA-N	2	1	411.977	5.824	40	0		HKABMP
CC[NH+](CC)CC[C@@H](CNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(Cl)cc1	ZINC000002042882	557300052	/nfs/dbraw/zinc/30/00/52/557300052.db2.gz	DSMFZNJRJXGJSS-SFHVURJKSA-N	2	1	416.396	6.469	40	0		HKABMP
CC[NH+](CC)CCC[C@@H](C)[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(Cl)cc1	ZINC000004428608	557554853	/nfs/dbraw/zinc/55/48/53/557554853.db2.gz	QEENPCKLFQIRPP-YKSBVNFPSA-N	2	1	403.010	5.386	40	0		HKABMP
CC1=C(CC[C@@H](C)[N@H+](C)Cc2ccc(O[C@@H](C)C[NH+](C)C)cc2)C(C)(C)CCC1	ZINC000004683514	557581014	/nfs/dbraw/zinc/58/10/14/557581014.db2.gz	AHMKXJCUCWLAPV-YADHBBJMSA-N	2	1	400.651	6.143	40	0		HKABMP
CC1=C(CC[C@H](C)[N@H+](C)Cc2ccc(O[C@@H](C)C[NH+](C)C)cc2)C(C)(C)CCC1	ZINC000004683515	557581024	/nfs/dbraw/zinc/58/10/24/557581024.db2.gz	AHMKXJCUCWLAPV-VXKWHMMOSA-N	2	1	400.651	6.143	40	0		HKABMP
CCCC[NH+](CCCC)C[C@@H](C[NH+](CC)CC)N(CC)C(=O)Nc1ccccc1	ZINC000004778078	557597124	/nfs/dbraw/zinc/59/71/24/557597124.db2.gz	JUAKBZVJVLEKKL-HSZRJFAPSA-N	2	1	404.643	5.153	40	0		HKABMP
C=C[PH+](CCP(CC[P@@H+](C=C)N(CC)CC)c1ccccc1)N(CC)CC	ZINC000005721705	557670621	/nfs/dbraw/zinc/67/06/21/557670621.db2.gz	GBGNDUYELHDBOH-UHFFFAOYSA-N	2	1	424.490	6.558	40	0		HKABMP
CCCC[NH+](CCCC)C[C@H](C[NH+](CC)CC)N(CC)C(=O)Nc1ccccc1	ZINC000005973424	557683147	/nfs/dbraw/zinc/68/31/47/557683147.db2.gz	JUAKBZVJVLEKKL-QHCPKHFHSA-N	2	1	404.643	5.153	40	0		HKABMP
CCOc1cc(C[NH2+]CCC[NH+](C)C)cc(Cl)c1OCc1ccccc1Cl	ZINC000008254111	557778533	/nfs/dbraw/zinc/77/85/33/557778533.db2.gz	RRFQWKMXTXLJOZ-UHFFFAOYSA-N	2	1	411.373	5.012	40	0		HKABMP
CCOc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCc1ccc(Cl)cc1Cl	ZINC000008254575	557778726	/nfs/dbraw/zinc/77/87/26/557778726.db2.gz	CWAVLBFLBZAGAU-UHFFFAOYSA-N	2	1	411.373	5.012	40	0		HKABMP
C[NH2+]CCC[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21	ZINC000008376919	557784535	/nfs/dbraw/zinc/78/45/35/557784535.db2.gz	RKKFPJKTEDRCAT-UHFFFAOYSA-N	2	1	403.353	5.425	40	0		HKABMP
Cc1ccc(C[N@@H+](Cc2cn(CC[NH+](C)C)c3ccccc23)Cc2ccncc2)cc1	ZINC000013989394	560831460	/nfs/dbraw/zinc/83/14/60/560831460.db2.gz	VMALAOTTWVEUNA-UHFFFAOYSA-N	2	1	412.581	5.109	40	0		HKABMP
CCOc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2[NH2+]Cc2ccccc2)cc1	ZINC000026440558	558661068	/nfs/dbraw/zinc/66/10/68/558661068.db2.gz	MENHDFSNXLOASS-SVBPBHIXSA-N	2	1	400.566	5.233	40	0		HKABMP
CCOc1ccc([C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2[NH2+]Cc2ccccc2)cc1	ZINC000026440562	558661035	/nfs/dbraw/zinc/66/10/35/558661035.db2.gz	MENHDFSNXLOASS-SXOMAYOGSA-N	2	1	400.566	5.233	40	0		HKABMP
COc1ccc(-c2ccc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCC(C)CC3)cc2)cc1	ZINC000057775521	569053692	/nfs/dbraw/zinc/05/36/92/569053692.db2.gz	GVKWYLOOINKHBB-SANMLTNESA-N	2	1	406.614	5.839	40	0		HKABMP
COc1ccc(-c2ccc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCC(C)CC3)cc2)cc1	ZINC000057775524	569053764	/nfs/dbraw/zinc/05/37/64/569053764.db2.gz	GVKWYLOOINKHBB-AREMUKBSSA-N	2	1	406.614	5.839	40	0		HKABMP
C[C@@H]1CCCC[N@H+]1Cc1cccc(NC(=O)c2ccccc2C[NH+]2CCCCC2)c1	ZINC000141578579	571132436	/nfs/dbraw/zinc/13/24/36/571132436.db2.gz	SUMDNAYSWJEGRH-OAQYLSRUSA-N	2	1	405.586	5.299	40	0		HKABMP
C[C@H]1CCCC[N@H+]1Cc1cccc(NC(=O)c2ccccc2C[NH+]2CCCCC2)c1	ZINC000141578773	571132454	/nfs/dbraw/zinc/13/24/54/571132454.db2.gz	SUMDNAYSWJEGRH-NRFANRHFSA-N	2	1	405.586	5.299	40	0		HKABMP
CCOc1ccc([C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2[NH2+]Cc2ccccc2)cc1	ZINC000245227432	569370255	/nfs/dbraw/zinc/37/02/55/569370255.db2.gz	MENHDFSNXLOASS-KAYWLYCHSA-N	2	1	400.566	5.233	40	0		HKABMP
CCOc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2[NH2+]Cc2ccccc2)cc1	ZINC000245227433	569370247	/nfs/dbraw/zinc/37/02/47/569370247.db2.gz	MENHDFSNXLOASS-RRPNLBNLSA-N	2	1	400.566	5.233	40	0		HKABMP
C[NH+](C)Cc1cccc([C@H]2CCC[N@H+]2Cc2ccccc2OCc2cccc(F)c2)n1	ZINC000257223494	569376878	/nfs/dbraw/zinc/37/68/78/569376878.db2.gz	DXPFRUKIJGJKHM-RUZDIDTESA-N	2	1	419.544	5.198	40	0		HKABMP
C[NH+](C)Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccccc2OCc2cccc(F)c2)n1	ZINC000257223495	569376893	/nfs/dbraw/zinc/37/68/93/569376893.db2.gz	DXPFRUKIJGJKHM-VWLOTQADSA-N	2	1	419.544	5.198	40	0		HKABMP
Cc1cc(Nc2nccs2)cc([C@@H]2CC[N@@H+](Cc3ccnc4ccccc34)C2)n1	ZINC000257252211	569377286	/nfs/dbraw/zinc/37/72/86/569377286.db2.gz	JTYGOCKXFBXRLZ-GOSISDBHSA-N	2	1	401.539	5.128	40	0		HKABMP
Cc1cc(Nc2nccs2)cc([C@H]2CC[N@@H+](Cc3ccnc4ccccc34)C2)n1	ZINC000257252212	569377298	/nfs/dbraw/zinc/37/72/98/569377298.db2.gz	JTYGOCKXFBXRLZ-SFHVURJKSA-N	2	1	401.539	5.128	40	0		HKABMP