smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN=C(Nc1cccc(C2=[NH+]CCN2)c1)c1ccc(C(=NCC)Nc2cccc(C3=[NH+]CCN3)c2)cc1	ZINC000001698807	551689542	/nfs/dbraw/zinc/68/95/42/551689542.db2.gz	LDFOJJDZWXCNPC-UHFFFAOYSA-N	2	0	506.658	3.953	40	30		KHEBRP
C/[NH+]=C(\c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(/C(=[NH+]\C)N4CCOCC4)cc3)cc2)cc1)N1CCOCC1	ZINC000004801944	552486980	/nfs/dbraw/zinc/48/69/80/552486980.db2.gz	RAYNINXLDOOMSE-BNRZXNFUSA-N	2	0	568.678	3.608	40	30		KHEBRP
Cn1c(COc2ccc(C=NN3CCN(N=Cc4ccc(OCc5cn6ccccc6[n+]5C)cc4)CC3)cc2)c[n+]2ccccc12	ZINC000005618500	552505703	/nfs/dbraw/zinc/50/57/03/552505703.db2.gz	YOWDCUKIAAVYBQ-PXDBBHOGSA-N	2	0	614.754	3.985	40	30		KHEBRP
C/[NH+]=C(/c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(/C(=[NH+]/C)N4CCOCC4)cc3)cc2)cc1)N1CCOCC1	ZINC000008622562	553103357	/nfs/dbraw/zinc/10/33/57/553103357.db2.gz	RAYNINXLDOOMSE-YIVISXGPSA-N	2	0	568.678	3.608	40	30		KHEBRP
Cn1c(COc2ccc(C=NN3CCN(N=Cc4ccc(OCc5cn6ccccc6[n+]5C)cc4)CC3)cc2)c[n+]2ccccc12	ZINC000008655411	553108284	/nfs/dbraw/zinc/10/82/84/553108284.db2.gz	YOWDCUKIAAVYBQ-YEITWXIVSA-N	2	0	614.754	3.985	40	30		KHEBRP
Cn1c(COc2ccc(C=NN3CCN(N=Cc4ccc(OCc5cn6ccccc6[n+]5C)cc4)CC3)cc2)c[n+]2ccccc12	ZINC000008655413	553108296	/nfs/dbraw/zinc/10/82/96/553108296.db2.gz	YOWDCUKIAAVYBQ-DNJOOXRZSA-N	2	0	614.754	3.985	40	30		KHEBRP
COc1ccc(C(=O)Cn2nc(-c3n[n+](CC(=O)c4ccc(OC)cc4)c4n3CCCCC4)[n+]3c2CCCCC3)cc1	ZINC000102626386	554988241	/nfs/dbraw/zinc/98/82/41/554988241.db2.gz	LOAZMUWRTRDDNG-UHFFFAOYSA-N	2	0	570.694	3.557	40	30		KHEBRP
C/[NH+]=C(\c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(/C(=[NH+]/C)N4CCOCC4)cc3)cc2)cc1)N1CCOCC1	ZINC000104392167	571379962	/nfs/dbraw/zinc/37/99/62/571379962.db2.gz	RAYNINXLDOOMSE-HKQZHLORSA-N	2	0	568.678	3.608	40	30		KHEBRP
CN/C(=[NH+]/CCCN1CCOCC1)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(/C(NC)=[NH+]/CCCN4CCOCC4)cc3)cc2)cc1	ZINC000150368544	571465458	/nfs/dbraw/zinc/46/54/58/571465458.db2.gz	MTXCCVVQQVARRU-UHFFFAOYSA-N	2	0	682.870	3.568	40	30		KHEBRP
CC[C@@]12CC(C(=O)OC)=C3Nc4cc5c(cc4[C@@]34CC[NH+](C[C@H]3O[C@H]31)[C@H]42)[C@@H]1[C@H](O5)[C@@H](O)[C@@]2(CC)CC(C(=O)OC)=C3Nc4c(cc(O)c(OC)c4OC)[C@]34CC[N@@H+]1[C@H]42	ZINC000169737646	571559925	/nfs/dbraw/zinc/55/99/25/571559925.db2.gz	QZRIMAMDGWAHPQ-WGOGSPBCSA-N	2	0	794.902	3.997	40	30		KHEBRP
Oc1ccc2c3c1O[C@@H]1C(=NN=C4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CC[NH+]6CC5CC5)[C@@H]4O8)CC[C@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000254143300	572302160	/nfs/dbraw/zinc/30/21/60/572302160.db2.gz	GSYDZKZBXPTRGD-HYLVSFDOSA-N	2	0	678.830	3.723	40	30		KHEBRP
Oc1ccc2c3c1O[C@H]1C(=NN=C4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CC[NH+]6CC5CC5)[C@@H]4O8)CC[C@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000254143303	572302117	/nfs/dbraw/zinc/30/21/17/572302117.db2.gz	GSYDZKZBXPTRGD-JYSBDRJRSA-N	2	0	678.830	3.723	40	30		KHEBRP
Oc1ccc2c3c1O[C@@H]1C(=NN=C4CC[C@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CC[N@H+]6CC5CC5)[C@@H]4O8)CC[C@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314	ZINC000254143305	572302179	/nfs/dbraw/zinc/30/21/79/572302179.db2.gz	GSYDZKZBXPTRGD-SZJLIUDRSA-N	2	0	678.830	3.723	40	30		KHEBRP
Oc1ccc2c3c1O[C@H]1C(=NN=C4CC[C@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CC[NH+]6CC5CC5)[C@@H]4O8)CC[C@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000254143307	572302200	/nfs/dbraw/zinc/30/22/00/572302200.db2.gz	GSYDZKZBXPTRGD-XVFJDZLJSA-N	2	0	678.830	3.723	40	30		KHEBRP