smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1	ZINC000019020953	558837796	/nfs/dbraw/zinc/83/77/96/558837796.db2.gz	UWTJBCUNKJJXSH-IRLDBZIGSA-N	1	1	412.603	4.223	40	10		HICBMO
Cc1csc(Nc2cccc([C@H]3CCC[N@@H+]3Cc3ccc(N(C)CCO)cc3)n2)n1	ZINC000072375418	558964004	/nfs/dbraw/zinc/96/40/04/558964004.db2.gz	MAZCJTWFVQOQCZ-OAQYLSRUSA-N	1	1	423.586	4.356	40	10		HICBMO
Cn1cc2c3c1cccc3C1CC(CNC(=O)OCc3ccccc3)C[N@@H+](C)C1C2	ZINC000000537987	560178184	/nfs/dbraw/zinc/17/81/84/560178184.db2.gz	WZHJKEUHNJHDLS-JZWVFAODSA-N	1	1	403.526	4.065	40	10	in-vitro	HICBMO
Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1	ZINC000044855835	569360949	/nfs/dbraw/zinc/36/09/49/569360949.db2.gz	SBKVSTATPPMZOB-IBGZPJMESA-N	1	1	402.542	4.406	40	10		HICBMO
Cc1csc(Nc2cccc([C@@H]3CCC[N@@H+]3Cc3ccc(N(C)CCO)cc3)n2)n1	ZINC000072375417	558964019	/nfs/dbraw/zinc/96/40/19/558964019.db2.gz	MAZCJTWFVQOQCZ-NRFANRHFSA-N	1	1	423.586	4.356	40	10		HICBMO
CC(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1	ZINC000019020961	558837746	/nfs/dbraw/zinc/83/77/46/558837746.db2.gz	UWTJBCUNKJJXSH-RBBKRZOGSA-N	1	1	412.603	4.223	40	10		HICBMO
O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1	ZINC000044910631	526681632	/nfs/dbraw/zinc/68/16/32/526681632.db2.gz	JYOAJILIOUJICK-JOCHJYFZSA-N	1	1	409.549	4.344	40	10		HICBMO
O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1	ZINC000044910634	526681746	/nfs/dbraw/zinc/68/17/46/526681746.db2.gz	JYOAJILIOUJICK-QFIPXVFZSA-N	1	1	409.549	4.344	40	10		HICBMO
COc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccc3c(c2)CCCN3C)cc1	ZINC000036740175	558801707	/nfs/dbraw/zinc/80/17/07/558801707.db2.gz	HIVIMKUGXUZRJO-UHFFFAOYSA-N	1	1	404.558	4.367	40	10		HICBMO
Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1	ZINC000044855836	527450515	/nfs/dbraw/zinc/45/05/15/527450515.db2.gz	SBKVSTATPPMZOB-LJQANCHMSA-N	1	1	402.542	4.406	40	10		HICBMO
COc1cccc(-n2c(C)cc(C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H](C)O)c2C)c1	ZINC000013991935	560831442	/nfs/dbraw/zinc/83/14/42/560831442.db2.gz	IJETYEGKNTUBCO-SFHVURJKSA-N	1	1	422.525	4.214	40	10		HICBMO
COc1cccc(-n2c(C)cc(C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H](C)O)c2C)c1	ZINC000013991932	560831480	/nfs/dbraw/zinc/83/14/80/560831480.db2.gz	IJETYEGKNTUBCO-GOSISDBHSA-N	1	1	422.525	4.214	40	10		HICBMO
CC(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1	ZINC000019020956	558837799	/nfs/dbraw/zinc/83/77/99/558837799.db2.gz	UWTJBCUNKJJXSH-IFMALSPDSA-N	1	1	412.603	4.223	40	10		HICBMO
CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](Cc2ccccc2O)CC[C@@]1(C)O	ZINC000604383331	568489622	/nfs/dbraw/zinc/48/96/22/568489622.db2.gz	WKROZAUXIOEREM-QNWVGRARSA-N	1	1	416.587	4.073	40	10	biogenic,in-vitro	HICBMO
Cc1nc2sccn2c1C[N@H+](CCCn1ccnc1)Cc1ccc(N(C)C)cc1	ZINC000043277736	527210590	/nfs/dbraw/zinc/21/05/90/527210590.db2.gz	PUJBDCOWOKTNKA-UHFFFAOYSA-N	1	1	408.575	4.059	40	10		HICBMO
COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)c32)cc1	ZINC000028287206	558694470	/nfs/dbraw/zinc/69/44/70/558694470.db2.gz	AOIDULLWDOJGPD-GASCZTMLSA-N	1	1	424.497	4.317	40	10		HICBMO
COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)c32)cc1	ZINC000028287206	558694474	/nfs/dbraw/zinc/69/44/74/558694474.db2.gz	AOIDULLWDOJGPD-GASCZTMLSA-N	1	1	424.497	4.317	40	10		HICBMO
Cc1cc(N2CCCC2)c(F)cc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1ccccn1	ZINC000012135154	558333524	/nfs/dbraw/zinc/33/35/24/558333524.db2.gz	GUSAQHYZKMHMOG-KEVCNVLYSA-N	1	1	409.549	4.249	40	10		HICBMO
COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(C[NH+]4C[C@@H](C)O[C@H](C)C4)c32)cc1	ZINC000028287212	558694416	/nfs/dbraw/zinc/69/44/16/558694416.db2.gz	AOIDULLWDOJGPD-HUUCEWRRSA-N	1	1	424.497	4.317	40	10		HICBMO
OCC[NH+]1CCN(CC/C=C2\c3ccccc3Sc3ccc(Cl)cc32)CC1	ZINC000031483558	558750765	/nfs/dbraw/zinc/75/07/65/558750765.db2.gz	WFPIAZLQTJBIFN-BLLMUTORSA-N	1	1	400.975	4.236	40	10	in-man	HICBMO
COc1cccc(-c2nc3c(s2)C[N@@H+](Cc2ccc(N4CCOCC4)cc2)CC3)c1	ZINC000019719766	558258214	/nfs/dbraw/zinc/25/82/14/558258214.db2.gz	PRFAMHVLYNYVDY-UHFFFAOYSA-N	1	1	421.566	4.214	40	10		HICBMO
COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(C[NH+]4C[C@H](C)O[C@@H](C)C4)c32)cc1	ZINC000028287209	558694408	/nfs/dbraw/zinc/69/44/08/558694408.db2.gz	AOIDULLWDOJGPD-GJZGRUSLSA-N	1	1	424.497	4.317	40	10		HICBMO
CC(=O)N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1	ZINC000019020959	558837802	/nfs/dbraw/zinc/83/78/02/558837802.db2.gz	UWTJBCUNKJJXSH-UNMCSNQZSA-N	1	1	412.603	4.223	40	10		HICBMO