smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c2ccc3c4ccc5c(=O)n(CC[NH+]6CCCCC6)c(=O)c6ccc(c7ccc(c(=O)n1CCN1CCCCC1)c2c37)c4c56	ZINC000006018376	561701874	/nfs/dbraw/zinc/70/18/74/561701874.db2.gz	GEJMGGZVFDIQCA-UHFFFAOYSA-N	1	3	612.730	4.935	1	5		KJBFHO
Cc1c2c(cc3c1ccnc3C(=O)NCCN(C)C)c1cc(OC(=O)N3CCC([NH+]4CCCCC4)CC3)ccc1n2C	ZINC000026291071	561780632	/nfs/dbraw/zinc/78/06/32/561780632.db2.gz	AVPDFVWTPKVVLU-UHFFFAOYSA-N	1	3	570.738	4.929	1	5		KJBFHO
CC1CCN(CCC(=O)Nc2ccc3c(c2)[nH]c2cc(NC(=O)CC[NH+]4CCC(C)CC4)ccc2c3=O)CC1	ZINC000028386147	561921052	/nfs/dbraw/zinc/92/10/52/561921052.db2.gz	JNIWLUAMXOOFPV-UHFFFAOYSA-N	1	3	531.701	4.802	1	5		KJBFHO
CC1CCN(CCC(=O)Nc2ccc3[nH]c4cc(NC(=O)CC[NH+]5CCC(C)CC5)ccc4c(=O)c3c2)CC1	ZINC000028396251	561923172	/nfs/dbraw/zinc/92/31/72/561923172.db2.gz	NOAZIOPKCYIHHC-UHFFFAOYSA-N	1	3	531.701	4.802	1	5		KJBFHO
C=C1[NH2+]C(=C)C(C(=O)OCCN(C)[C@@H](C)COc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC	ZINC000029210597	562005666	/nfs/dbraw/zinc/00/56/66/562005666.db2.gz	VUBWIAJSRQTELD-LFYFOVNNSA-N	1	3	523.586	4.785	1	5		KJBFHO
C=C1[NH2+]C(=C)C(C(=O)OCCN(C)[C@@H](C)COc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC	ZINC000029210602	562005635	/nfs/dbraw/zinc/00/56/35/562005635.db2.gz	VUBWIAJSRQTELD-DRWOAZQASA-N	1	3	523.586	4.785	1	5		KJBFHO
CN(C)CCCNC(=O)c1ccc(NCCC[N@@H+](C)CCCN2C(=O)c3cccc4cccc(c43)C2=O)c2c(=O)c3ccccc3[nH]c12	ZINC000049605471	562665925	/nfs/dbraw/zinc/66/59/25/562665925.db2.gz	WXUGCFPBHPGAMH-UHFFFAOYSA-N	1	3	646.792	4.936	1	5		KJBFHO
CN(C)CCCNC(=O)c1ccc(NCCC[N@H+](C)CCCN2C(=O)c3cccc4cccc(c43)C2=O)c2c(=O)c3ccccc3[nH]c12	ZINC000049605471	562665924	/nfs/dbraw/zinc/66/59/24/562665924.db2.gz	WXUGCFPBHPGAMH-UHFFFAOYSA-N	1	3	646.792	4.936	1	5		KJBFHO
CN(C)CCCNC(=O)c1ccc(NCCC[N@@H+](C)CCCN2C(=O)c3cccc4cc([N+](=O)[O-])cc(c43)C2=O)c2c(=O)c3ccccc3[nH]c12	ZINC000049615780	562666706	/nfs/dbraw/zinc/66/67/06/562666706.db2.gz	IZMQDFOBAMYOSD-UHFFFAOYSA-N	1	3	691.789	4.844	1	5		KJBFHO
CN(C)CCCNC(=O)c1ccc(NCCC[N@H+](C)CCCN2C(=O)c3cccc4cc([N+](=O)[O-])cc(c43)C2=O)c2c(=O)c3ccccc3[nH]c12	ZINC000049615780	562666705	/nfs/dbraw/zinc/66/67/05/562666705.db2.gz	IZMQDFOBAMYOSD-UHFFFAOYSA-N	1	3	691.789	4.844	1	5		KJBFHO
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C4(C(=O)N5CC[N+](C)(CC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1	ZINC000082178433	562741714	/nfs/dbraw/zinc/74/17/14/562741714.db2.gz	VQYBBVSAJKEYNB-UHFFFAOYSA-N	1	3	708.753	4.560	1	5		KJBFHO
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C4(C(=O)N5CC[N+](C)(CCC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1	ZINC000082178767	562741802	/nfs/dbraw/zinc/74/18/02/562741802.db2.gz	MJRXYNRNYUMOPZ-UHFFFAOYSA-N	1	3	722.780	4.950	1	5		KJBFHO
CC[NH+](CC)CCn1c(=O)c2ccc3c4cccc5c(N6CCNCC6)ccc(c6ccc(c1=O)c2c36)c45	ZINC000095575777	562770450	/nfs/dbraw/zinc/77/04/50/562770450.db2.gz	NDJVSFSFJHWFPQ-UHFFFAOYSA-N	1	3	504.634	4.602	1	5		KJBFHO
CCN(CC)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@H]([NH2+]CCN(CC)CC)C(C)(C)O2	ZINC000101089443	562809121	/nfs/dbraw/zinc/80/91/21/562809121.db2.gz	RKESBORTDBSPBH-SANMLTNESA-N	1	3	508.707	4.713	1	5		KJBFHO
CCN(CC)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@@H]([NH2+]CCN(CC)CC)C(C)(C)O2	ZINC000101089448	562809141	/nfs/dbraw/zinc/80/91/41/562809141.db2.gz	RKESBORTDBSPBH-AREMUKBSSA-N	1	3	508.707	4.713	1	5		KJBFHO
COc1c(OCCCCNC(N)=[NH2+])cc2oc3cc(OCCCCNC(N)=[NH2+])c(CC=C(C)C)c([O-])c3c(=O)c2c1CC=C(C)C	ZINC000148377331	562841219	/nfs/dbraw/zinc/84/12/19/562841219.db2.gz	JTQAORBTEPDRKA-UHFFFAOYSA-N	1	3	636.794	4.962	1	5		KJBFHO
COc1c(OCCCCNC(N)=[NH2+])cc2oc3cc(OCCCCNC(N)=[NH2+])c(CC=C(C)C)c(=O)c-3c([O-])c2c1CC=C(C)C	ZINC000148377331	562841218	/nfs/dbraw/zinc/84/12/18/562841218.db2.gz	JTQAORBTEPDRKA-UHFFFAOYSA-N	1	3	636.794	4.962	1	5		KJBFHO
C=C1[NH2+]C(=C)C(C(=O)OCCN(C)[C@H](C)COc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC	ZINC000169295441	562852380	/nfs/dbraw/zinc/85/23/80/562852380.db2.gz	VUBWIAJSRQTELD-VWYMMTOUSA-N	1	3	523.586	4.785	1	5		KJBFHO
CCC1=CN2CCC3=c4c(cccc4OC)=NC3=C2C=C1C1=CN2c3ccccc3[C@@]34CC[N@@+]5(C)CC6=CCO[C@@H]1[C@@H]([C@H]23)[C@H]6C[C@@H]45	ZINC000377815884	562896098	/nfs/dbraw/zinc/89/60/98/562896098.db2.gz	AAJSOHFSWPEFNN-HCXZYGGOSA-N	1	3	609.794	4.848	1	5		KJBFHO
CCC1=CN2CCC3=c4c(cccc4OC)=NC3=C2C=C1C1=CN2c3ccccc3[C@@]34CC[N@+]5(C)CC6=CCO[C@@H]1[C@@H]([C@H]23)[C@H]6C[C@@H]45	ZINC000377815885	562896086	/nfs/dbraw/zinc/89/60/86/562896086.db2.gz	AAJSOHFSWPEFNN-SCRMJXMWSA-N	1	3	609.794	4.848	1	5		KJBFHO