smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(/N=C(/C=[NH+]/N(C)c1ccccc1)c1ccccc1)c1ccccc1	ZINC000005509945	523769025	/nfs/dbraw/zinc/76/90/25/523769025.db2.gz	GXIJACDUNNCGBY-RNTBDFEGSA-N	1	1	342.446	4.649	40	30		EJEBMO
C=CCC1(O)[C@H](C)[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@@H]1C	ZINC000004176891	210140411	/nfs/dbraw/zinc/14/04/11/210140411.db2.gz	LLVHGGXMXPNCGC-USSLWURLSA-N	1	1	335.491	4.994	40	30		EJEBMO
COc1cc(C=NNc2cc(C)[nH+]c3ccccc23)ccc1OC(C)C	ZINC000041127774	213420733	/nfs/dbraw/zinc/42/07/33/213420733.db2.gz	JJSMLSGCKDMJAK-LPYMAVHISA-N	1	1	349.434	4.785	40	30		EJEBMO
C[NH+](C)CCC(N=Nc1ccc(Cl)cc1Cl)c1ccccc1	ZINC000016953416	524047261	/nfs/dbraw/zinc/04/72/61/524047261.db2.gz	JUHKWJCSFMIMJW-SILNSSARSA-N	1	1	336.266	4.761	40	30		EJEBMO
CCOC(=O)c1ccc(NC(Cc2ccccc2)=[NH+]C(C)(C)C)cc1	ZINC000001572361	521478589	/nfs/dbraw/zinc/47/85/89/521478589.db2.gz	VPPGXGUKLWRARN-UHFFFAOYSA-N	1	1	338.451	4.715	40	30		EJEBMO
C[NH+](C)CCC(N=Nc1ccc(Cl)cc1Cl)c1ccccc1	ZINC000005888797	524047107	/nfs/dbraw/zinc/04/71/07/524047107.db2.gz	JUHKWJCSFMIMJW-CAPFRKAQSA-N	1	1	336.266	4.761	40	30		EJEBMO
CCCCCCCCCC[C@H](C(=O)Oc1ccc(O)cc1)[NH+](C)C	ZINC000105006693	563983693	/nfs/dbraw/zinc/98/36/93/563983693.db2.gz	LGSPEBVZKPPXKM-LJQANCHMSA-N	1	1	335.488	4.759	40	30		EJEBMO
C=CCn1ncc(C[N@H+]2C[C@@H](c3ccccc3)C3(CCCC3)C2)c1C	ZINC000012228150	211324978	/nfs/dbraw/zinc/32/49/78/211324978.db2.gz	WUTRAXCCTJLVGB-NRFANRHFSA-N	1	1	335.495	4.537	40	30		EJEBMO
C[C@@H](C/C=N/N1CCCCC1)Nc1cc[nH+]c2cc(Cl)ccc12	ZINC000006425777	524308568	/nfs/dbraw/zinc/30/85/68/524308568.db2.gz	VIJKAUNKFZAHMN-MNUWJXFPSA-N	1	1	330.863	4.550	40	30		EJEBMO
CC1=CC(=O)[C@]2(C)C(c3ccccc3)=C(Cc3ccccc3)[N@@H+](C)[C@@H]2C1	ZINC000090373734	563974885	/nfs/dbraw/zinc/97/48/85/563974885.db2.gz	AYHWOFRGVYNNHK-ZJSXRUAMSA-N	1	1	343.470	4.880	40	30		EJEBMO
C=CCC1(O)[C@H](C)[C@@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@@H]1C	ZINC000004176906	210140448	/nfs/dbraw/zinc/14/04/48/210140448.db2.gz	LLVHGGXMXPNCGC-ZJJAWJATSA-N	1	1	335.491	4.994	40	30		EJEBMO
C[C@@H](C/C=N\N1CCCCC1)Nc1cc[nH+]c2cc(Cl)ccc12	ZINC000005179572	563522029	/nfs/dbraw/zinc/52/20/29/563522029.db2.gz	VIJKAUNKFZAHMN-LKEIMFIWSA-N	1	1	330.863	4.550	40	30		EJEBMO
CCOc1ccc(C=NNc2cc(C)[nH+]c3ccccc23)cc1OCC	ZINC000041127752	213420504	/nfs/dbraw/zinc/42/05/04/213420504.db2.gz	MWDTXBGGMKXWKZ-HYARGMPZSA-N	1	1	349.434	4.787	40	30		EJEBMO
FC(F)(F)c1ccc(N[NH+]=Cc2ccc(N3CCCC3)cc2)cc1	ZINC000408936868	564008137	/nfs/dbraw/zinc/00/81/37/564008137.db2.gz	QBKZWRUIQRJJEW-XKZIYDEJSA-N	1	1	333.357	4.752	40	30		EJEBMO
CCCCCCCCc1ccc(OCCC[NH+]2CCOCC2)cc1	ZINC000104342491	563983568	/nfs/dbraw/zinc/98/35/68/563983568.db2.gz	LMUMUHICGXHYHX-UHFFFAOYSA-N	1	1	333.516	4.691	40	30		EJEBMO
C=CCC1(O)[C@@H](C)[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@@H]1C	ZINC000004176896	210139585	/nfs/dbraw/zinc/13/95/85/210139585.db2.gz	LLVHGGXMXPNCGC-CZQWAENCSA-N	1	1	335.491	4.994	40	30		EJEBMO
CC1=CC(=O)[C@]2(C)C(c3ccccc3)=C(Cc3ccccc3)[N@@H+](C)[C@H]2C1	ZINC000090373736	563974878	/nfs/dbraw/zinc/97/48/78/563974878.db2.gz	AYHWOFRGVYNNHK-XUZZJYLKSA-N	1	1	343.470	4.880	40	30		EJEBMO
CCCCCCCCCCCCOC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000104206661	563983528	/nfs/dbraw/zinc/98/35/28/563983528.db2.gz	OUXAYARXDJUWFD-FQEVSTJZSA-N	1	1	349.515	4.726	40	30		EJEBMO
CCCCCCCC[N@H+](Cc1ccccc1)C[C@H](O)c1ccncc1	ZINC000104357822	219379374	/nfs/dbraw/zinc/37/93/74/219379374.db2.gz	DYNBTZGVDSTGKV-QFIPXVFZSA-N	1	1	340.511	4.978	40	30		EJEBMO
CC1=CC(=O)[C@@]2(C)C(c3ccccc3)=C(Cc3ccccc3)[N@@H+](C)[C@H]2C1	ZINC000090373735	563974880	/nfs/dbraw/zinc/97/48/80/563974880.db2.gz	AYHWOFRGVYNNHK-URXFXBBRSA-N	1	1	343.470	4.880	40	30		EJEBMO
N=C(Nc1ccccc1)SCCCSC(=[NH2+])Nc1ccccc1	ZINC000001667613	526828098	/nfs/dbraw/zinc/82/80/98/526828098.db2.gz	OVMODHWJCFPYSE-UHFFFAOYSA-N	1	1	344.509	4.536	40	30		EJEBMO
C=CCn1ncc(C[N@H+]2C[C@H](c3ccccc3)C3(CCCC3)C2)c1C	ZINC000012228154	211325133	/nfs/dbraw/zinc/32/51/33/211325133.db2.gz	WUTRAXCCTJLVGB-OAQYLSRUSA-N	1	1	335.495	4.537	40	30		EJEBMO
CC1=CC(=O)[C@@]2(C)C(c3ccccc3)=C(Cc3ccccc3)[N@@H+](C)[C@@H]2C1	ZINC000090373733	563974876	/nfs/dbraw/zinc/97/48/76/563974876.db2.gz	AYHWOFRGVYNNHK-QPPBQGQZSA-N	1	1	343.470	4.880	40	30		EJEBMO
CCCCCCCC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccncc1	ZINC000001671559	563401707	/nfs/dbraw/zinc/40/17/07/563401707.db2.gz	DYNBTZGVDSTGKV-JOCHJYFZSA-N	1	1	340.511	4.978	40	30		EJEBMO
CCCCCCCCCC[C@@H](C(=O)Oc1ccc(O)cc1)[NH+](C)C	ZINC000105006690	563983715	/nfs/dbraw/zinc/98/37/15/563983715.db2.gz	LGSPEBVZKPPXKM-IBGZPJMESA-N	1	1	335.488	4.759	40	30		EJEBMO
CCCCCCCCCCCCOC(=O)[C@H]([NH3+])Cc1ccc(O)cc1	ZINC000104206655	563983532	/nfs/dbraw/zinc/98/35/32/563983532.db2.gz	OUXAYARXDJUWFD-HXUWFJFHSA-N	1	1	349.515	4.726	40	30		EJEBMO
CCN(CC)c1ccc(C=[NH+][N-]c2cc(C)[nH+]c3ccccc23)cc1	ZINC000005006927	210358591	/nfs/dbraw/zinc/35/85/91/210358591.db2.gz	KXINCHAAEYARAW-PXLXIMEGSA-N	1	1	332.451	4.835	40	30		EJEBMO
C[C@H](C/C=N/N1CCCCC1)Nc1cc[nH+]c2cc(Cl)ccc12	ZINC000006442824	526195527	/nfs/dbraw/zinc/19/55/27/526195527.db2.gz	VIJKAUNKFZAHMN-YVJZOELXSA-N	1	1	330.863	4.550	40	30		EJEBMO
C[C@H](C/C=N\N1CCCCC1)Nc1cc[nH+]c2cc(Cl)ccc12	ZINC000005179574	563522139	/nfs/dbraw/zinc/52/21/39/563522139.db2.gz	VIJKAUNKFZAHMN-YYLUKMIBSA-N	1	1	330.863	4.550	40	30		EJEBMO