smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(-c2ccc(NC(N)=[NH2+])c(C(F)(F)F)c2)ccc1-c1ccc(NC(N)=[NH2+])c(C(F)(F)F)c1	ZINC000028469239	563065200	/nfs/dbraw/zinc/06/52/00/563065200.db2.gz	XMLVCDPQBVXIAL-UHFFFAOYSA-N	2	0	483.420	4.207	1	30		JIEFRP
CN(c1ccccc1)[C@@H]1c2ccccc2NC(=[NH+]CCC[NH2+]CCCC[NH2+]CCC[NH3+])C1(C)C	ZINC000013678612	562983705	/nfs/dbraw/zinc/98/37/05/562983705.db2.gz	PEOHNOWDCJWHSD-AREMUKBSSA-N	4	0	464.702	4.413	1	30		JIEFRP
CNc1ccc([C@@H]2c3ccccc3NC(=[NH+]CCC[NH2+]CCCC[NH2+]CCC[NH3+])C2(C)C)cc1	ZINC000013678623	562983742	/nfs/dbraw/zinc/98/37/42/562983742.db2.gz	VMNAOIVVYYAQNH-AREMUKBSSA-N	4	0	464.702	4.409	1	30		JIEFRP
CN(c1ccccc1)[C@H]1c2ccccc2NC(=[NH+]CCC[NH2+]CCCC[NH2+]CCC[NH3+])C1(C)C	ZINC000013678614	562983744	/nfs/dbraw/zinc/98/37/44/562983744.db2.gz	PEOHNOWDCJWHSD-SANMLTNESA-N	4	0	464.702	4.413	1	30		JIEFRP
O=C(CCCCCC(=O)NCCC[NH2+]CCCC[NH2+]CCC(c1ccccc1)c1ccccc1)NO	ZINC000029054954	563093496	/nfs/dbraw/zinc/09/34/96/563093496.db2.gz	HEQGSITXHSXWGY-UHFFFAOYSA-N	2	0	496.696	4.130	1	30		JIEFRP
CCN1C(C)=C(C(=O)OC)[C@H](c2cccc(C(F)(F)F)c2)NC1=[NH+]CCC[NH+](CC)CC	ZINC000036381600	563127780	/nfs/dbraw/zinc/12/77/80/563127780.db2.gz	GKBRWHBNKRMKFJ-FQEVSTJZSA-N	2	0	454.537	4.207	3	30		JIEFRP
CC(C)(C)c1ccc(C[NH2+]CCCC[NH2+]CCCNC(=O)CCCCCCCC(=O)NO)cc1	ZINC000029052686	563093091	/nfs/dbraw/zinc/09/30/91/563093091.db2.gz	CHCOIZSTIDNHMT-UHFFFAOYSA-N	2	0	476.706	4.186	1	30		JIEFRP
COc1ccccc1[C@@H]1Cc2c(c(=O)c3cc(Cl)ccc3n2O)/C(=[NH+]/CCC[NH+](C)C)C1	ZINC000027088156	563039351	/nfs/dbraw/zinc/03/93/51/563039351.db2.gz	JZGQENLZOIQZOV-DFIGIENVSA-N	2	0	453.970	4.372	1	30		JIEFRP
CC(C)NC(=[NH2+])c1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C(=[NH2+])NC(C)C)cc3)n2)cc1	ZINC000001663229	562923143	/nfs/dbraw/zinc/92/31/43/562923143.db2.gz	CKTYJKABMQWMSK-UHFFFAOYSA-N	2	0	485.592	4.023	1	30		JIEFRP
CNC(=[NH+]C)c1ccc(NC(=O)Nc2cccc(NC(=O)Nc3ccc(/C(NC)=[NH+]\C)cc3)c2)cc1	ZINC000004744110	562933644	/nfs/dbraw/zinc/93/36/44/562933644.db2.gz	CWXLQBVEVZQUOT-UHFFFAOYSA-N	2	0	486.580	4.166	1	30		JIEFRP
COc1ccc([C@H]2Cc3c(c(=O)c4cc(Cl)ccc4n3O)/C(=[NH+]/CCC[NH+](C)C)C2)cc1	ZINC000027086328	563039232	/nfs/dbraw/zinc/03/92/32/563039232.db2.gz	POBHLZXRLGRVKF-GQKAQOFESA-N	2	0	453.970	4.372	1	30		JIEFRP
CC(C)NC(=[NH2+])c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(=[NH2+])NC(C)C)cc3)n2)cc1	ZINC000001663672	562923195	/nfs/dbraw/zinc/92/31/95/562923195.db2.gz	DTBXGBNNIPTWGQ-UHFFFAOYSA-N	2	0	485.592	4.023	1	30		JIEFRP
CN(C)c1ccc([C@@H]2Cc3c(c(=O)c4cc(Cl)ccc4n3O)/C(=[NH+]/CCC[NH+](C)C)C2)cc1	ZINC000027099663	563039814	/nfs/dbraw/zinc/03/98/14/563039814.db2.gz	WJSLFNZCYAWANG-XOBBFWGZSA-N	2	0	467.013	4.429	1	30		JIEFRP
CO/N=C/c1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1	ZINC000013601042	562978282	/nfs/dbraw/zinc/97/82/82/562978282.db2.gz	IBRSSKUPVHTLLN-CTVDDJEBSA-N	2	0	459.377	4.190	1	30		JIEFRP
CNc1ccc([C@H]2c3ccccc3NC(=[NH+]CCC[NH2+]CCCC[NH2+]CCC[NH3+])C2(C)C)cc1	ZINC000013678625	562983735	/nfs/dbraw/zinc/98/37/35/562983735.db2.gz	VMNAOIVVYYAQNH-SANMLTNESA-N	4	0	464.702	4.409	1	30		JIEFRP
COc1ccc([C@@H]2Cc3c(c(=O)c4cc(Cl)ccc4n3O)/C(=[NH+]/CCC[NH+](C)C)C2)cc1	ZINC000027086335	563039192	/nfs/dbraw/zinc/03/91/92/563039192.db2.gz	POBHLZXRLGRVKF-ZURFJKDFSA-N	2	0	453.970	4.372	1	30		JIEFRP
COc1ccccc1[C@H]1Cc2c(c(=O)c3cc(Cl)ccc3n2O)/C(=[NH+]/CCC[NH+](C)C)C1	ZINC000027088149	563039323	/nfs/dbraw/zinc/03/93/23/563039323.db2.gz	JZGQENLZOIQZOV-BMJQMZGESA-N	2	0	453.970	4.372	1	30		JIEFRP
O=C(C=Cc1ccc(C(=O)Nc2ccc(C3=[NH+]CCN3)cc2)cc1)Nc1ccc(C2=[NH+]CCN2)cc1	ZINC000031937810	563109229	/nfs/dbraw/zinc/10/92/29/563109229.db2.gz	VOVSEXWVJWWZTO-LZWSPWQCSA-N	2	0	478.556	4.324	1	30		JIEFRP
CC(C)NC(=[NH2+])c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=[NH2+])NC(C)C)cc3)o2)cc1	ZINC000001663226	562923155	/nfs/dbraw/zinc/92/31/55/562923155.db2.gz	XGZSHOLODYUHNI-UHFFFAOYSA-N	2	0	474.565	4.221	1	30		JIEFRP
CCC[NH2+]Cc1cc(O)cc2c1C[C@@H]1CCC[C@@H](C1)[C@@]13CC[C@@H](C(C)(C)O1)[C@]([NH3+])(CCO)[C@H]3C#CC2	ZINC000085543116	560071137	/nfs/dbraw/zinc/07/11/37/560071137.db2.gz	PSKNBNSRJUHJPU-XZOMDMQKSA-N	2	0	494.720	4.454	1	30	biogenic,in-vitro	JIEFRP
C#CC[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(F)ccc3n2Cc2cccc(C(N)=[NH2+])c2)cc1	ZINC000013474316	562966743	/nfs/dbraw/zinc/96/67/43/562966743.db2.gz	OHUYGBZNHVTIOY-UHFFFAOYSA-O	2	0	482.583	4.243	1	30		JIEFRP
CN(C)c1ccc([C@H]2Cc3c(c(=O)c4cc(Cl)ccc4n3O)/C(=[NH+]/CCC[NH+](C)C)C2)cc1	ZINC000027099660	563039865	/nfs/dbraw/zinc/03/98/65/563039865.db2.gz	WJSLFNZCYAWANG-DFGLOMHJSA-N	2	0	467.013	4.429	1	30		JIEFRP
O=C(CCCCCCC(=O)NCCC[NH2+]CCCC[NH2+]Cc1ccccc1-c1ccccc1)NO	ZINC000029053816	563093276	/nfs/dbraw/zinc/09/32/76/563093276.db2.gz	DBHQTFKGJUWNTQ-UHFFFAOYSA-N	2	0	482.669	4.165	1	30		JIEFRP
CC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc[n+](CC)c4)cc3)cc2)c1	ZINC000031561818	563108436	/nfs/dbraw/zinc/10/84/36/563108436.db2.gz	BXPSNXQKVVQDPO-UHFFFAOYSA-P	2	0	495.583	4.442	1	30		JIEFRP
COc1cc(OC)c(C2CC[NH+](C)CC2)cc1C(=O)/C=C/c1ccc(N2CC[NH+](C)CC2)cc1	ZINC000028871095	563084270	/nfs/dbraw/zinc/08/42/70/563084270.db2.gz	IUYWJWQTZKZBQI-JXMROGBWSA-N	2	0	463.622	4.161	1	30		JIEFRP