smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSc1n[nH]c(-n2ccc3nc4ccn(CCC[NH+]5CCOCC5)c(=O)c4cc3c2=O)n1	ZINC000040398875	569825918	/nfs/dbraw/zinc/82/59/18/569825918.db2.gz	JYHAFZVNJQCZKQ-UHFFFAOYSA-N	1	1	453.528	1.263	40	5		JDBBMO
CCOC(=O)c1c(C)[nH]nc1-n1ccc2nc3ccn(CCC[NH+](C)C)c(=O)c3cc2c1=O	ZINC000040399107	569826137	/nfs/dbraw/zinc/82/61/37/569826137.db2.gz	YQMXVJJIKBFSOE-UHFFFAOYSA-N	1	1	450.499	1.861	40	5		JDBBMO
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)S(C)(=O)=O	ZINC000224555722	569948210	/nfs/dbraw/zinc/94/82/10/569948210.db2.gz	WXJBSPZARIVZKA-UHFFFAOYSA-N	1	1	492.554	1.518	40	5		JDBBMO
CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1cccc([N+](=O)[O-])c1	ZINC000224718477	569954634	/nfs/dbraw/zinc/95/46/34/569954634.db2.gz	DSPQHAAIJWMWJC-UHFFFAOYSA-N	1	1	462.528	1.509	40	5		JDBBMO
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)S(C)(=O)=O	ZINC000224726530	569954913	/nfs/dbraw/zinc/95/49/13/569954913.db2.gz	GOKPFFYJMXUPRF-UHFFFAOYSA-N	1	1	476.555	1.818	40	5		JDBBMO
C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000224578749	569949291	/nfs/dbraw/zinc/94/92/91/569949291.db2.gz	LMAIYIHYAWNAJE-QGZVFWFLSA-N	1	1	476.555	1.898	40	5		JDBBMO
Cc1c(N(CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000224744321	569955701	/nfs/dbraw/zinc/95/57/01/569955701.db2.gz	YODACGPKKRVIIE-UHFFFAOYSA-N	1	1	476.555	1.818	40	5		JDBBMO
CC[NH+]1CCN(C(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000409323531	570201628	/nfs/dbraw/zinc/20/16/28/570201628.db2.gz	PVHIOMOMIAKHSC-UHFFFAOYSA-N	1	1	492.554	1.971	40	5		JDBBMO
COc1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	ZINC000044802952	569839326	/nfs/dbraw/zinc/83/93/26/569839326.db2.gz	ZEYSPGBHEFTKSQ-UHFFFAOYSA-N	1	1	478.527	1.581	40	5		JDBBMO
C[C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000224745835	569955806	/nfs/dbraw/zinc/95/58/06/569955806.db2.gz	IBFAHNBONCVGKS-QGZVFWFLSA-N	1	1	476.555	1.898	40	5		JDBBMO
CN1CC[NH+](CCCNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)CC1	ZINC000022913959	555968886	/nfs/dbraw/zinc/96/88/86/555968886.db2.gz	OMXBFURLYXIWDZ-UHFFFAOYSA-N	1	1	475.571	1.544	40	5		JDBBMO
C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000224578698	569949269	/nfs/dbraw/zinc/94/92/69/569949269.db2.gz	LMAIYIHYAWNAJE-KRWDZBQOSA-N	1	1	476.555	1.898	40	5		JDBBMO
Cc1c(N(CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000224577173	569949248	/nfs/dbraw/zinc/94/92/48/569949248.db2.gz	YYMVMXHSLYYTOB-UHFFFAOYSA-N	1	1	476.555	1.818	40	5		JDBBMO
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)S(C)(=O)=O	ZINC000224721384	569954688	/nfs/dbraw/zinc/95/46/88/569954688.db2.gz	NNLUVGPODKLBMI-UHFFFAOYSA-N	1	1	492.554	1.518	40	5		JDBBMO
C[C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000224745783	569955821	/nfs/dbraw/zinc/95/58/21/569955821.db2.gz	IBFAHNBONCVGKS-KRWDZBQOSA-N	1	1	476.555	1.898	40	5		JDBBMO
CN1CC[NH+](CCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)CC1	ZINC000022913952	555968926	/nfs/dbraw/zinc/96/89/26/555968926.db2.gz	MWHBKOCMTMOITG-UHFFFAOYSA-N	1	1	475.571	1.544	40	5		JDBBMO
CCSc1n[nH]c(-n2ccc3nc4ccn(CCC[NH+]5CCOCC5)c(=O)c4cc3c2=O)n1	ZINC000040398922	569825995	/nfs/dbraw/zinc/82/59/95/569825995.db2.gz	YSGLQZWUFVXVHI-UHFFFAOYSA-N	1	1	467.555	1.653	40	5		JDBBMO
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)S(C)(=O)=O	ZINC000224561134	569948528	/nfs/dbraw/zinc/94/85/28/569948528.db2.gz	AMNPDWXKKSFELB-UHFFFAOYSA-N	1	1	476.555	1.818	40	5		JDBBMO
CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000224552929	569948169	/nfs/dbraw/zinc/94/81/69/569948169.db2.gz	KWBBJODMWPWGSH-UHFFFAOYSA-N	1	1	462.528	1.509	40	5		JDBBMO