smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)OCc1c[nH+]cn1Cc1ccc(C#N)cc1	ZINC000045356642	175362109	/nfs/dbraw/zinc/36/21/09/175362109.db2.gz	MZMUAOKANBWLRV-UHFFFAOYSA-N	1	2	271.276	2.086	1	30		CEEFLO
CC(C)(C)COc1ncccc1/C(=N/O)n1cc[nH+]c1	ZINC000072186529	176335641	/nfs/dbraw/zinc/33/56/41/176335641.db2.gz	SZTDPVIGLHXKGZ-ATVHPVEESA-N	1	2	274.324	2.387	1	30		CEEFLO
O=C1/C(=C/c2ccccn2)C[NH2+]C/C1=C/c1ccccn1	ZINC000035000882	171926630	/nfs/dbraw/zinc/92/66/30/171926630.db2.gz	GXFKPANENAOEOK-ZKLMZBBOSA-N	1	2	277.327	2.116	1	30		CEEFLO
O/N=C1/c2ccc(Cl)cc2OC[C@H]1n1cc[nH+]c1	ZINC000040762367	174397206	/nfs/dbraw/zinc/39/72/06/174397206.db2.gz	CMOFHCBGGVIUJH-ZYUPPKHXSA-N	1	2	263.684	2.349	1	30		CEEFLO
CCCCCCCn1c[nH+]c2c1NC=NC[C@@H]2O	ZINC000034633644	581093389	/nfs/dbraw/zinc/09/33/89/581093389.db2.gz	JCNDIMKNQVCGOD-NSHDSACASA-N	1	2	250.346	2.341	1	30		CEEFLO
CC(C)n1nc(-c2ccc(C#N)c(O)c2)c2c1nc[nH+]c2N	ZINC000008581948	170341995	/nfs/dbraw/zinc/34/19/95/170341995.db2.gz	DHYADLCEAXMYPS-UHFFFAOYSA-N	1	2	294.318	2.234	1	30		CEEFLO
C=CCCC(=O)C([N+]#N)=C(O)CCC(=O)c1ccccc1	ZINC000005940586	170158889	/nfs/dbraw/zinc/15/88/89/170158889.db2.gz	CXZMPLLVNLLUQT-UHFFFAOYSA-N	1	2	284.315	2.425	1	30		CEEFLO
C=CCCC(O)=C([N+]#N)C(=O)CCC(=O)c1ccccc1	ZINC000005940586	170158891	/nfs/dbraw/zinc/15/88/91/170158891.db2.gz	CXZMPLLVNLLUQT-UHFFFAOYSA-N	1	2	284.315	2.425	1	30		CEEFLO
Cc1ccc(NN=CC2=[NH+][C@H]3CCCC[C@H]3NC2=O)cc1	ZINC000103274522	185824268	/nfs/dbraw/zinc/82/42/68/185824268.db2.gz	CPTFYBWUMDFNJT-KQLQBFTNSA-N	1	2	284.363	2.275	1	30		CEEFLO
CCCCCCOc1ccc(C=NNC(=[NH2+])NO)cc1	ZINC000071334961	176126946	/nfs/dbraw/zinc/12/69/46/176126946.db2.gz	XJVRYNZXXRCGQC-LFIBNONCSA-N	1	2	278.356	2.483	1	30		CEEFLO
CCCCCCCn1c[nH+]c2c1NC=NC[C@H]2O	ZINC000034633645	171846271	/nfs/dbraw/zinc/84/62/71/171846271.db2.gz	JCNDIMKNQVCGOD-LLVKDONJSA-N	1	2	250.346	2.341	1	30		CEEFLO
COc1cc(Oc2c[nH+]c(N)nc2N)c(C(C)C)cc1C#N	ZINC000040429934	174259267	/nfs/dbraw/zinc/25/92/67/174259267.db2.gz	CAEAPEFQIXQAMJ-UHFFFAOYSA-N	1	2	299.334	2.437	1	30		CEEFLO
O=C1/C(=C/c2cccnc2)C[NH2+]C/C1=C\c1cccnc1	ZINC000066258654	526942778	/nfs/dbraw/zinc/94/27/78/526942778.db2.gz	XHNHQRYTGVGSKB-BGPOSVGRSA-N	1	2	277.327	2.116	1	30		CEEFLO
C[N@@H+]1CCO[C@@H]2[C@@H]1c1cc(C#N)ccc1OC2(C)C	ZINC000096941834	185133790	/nfs/dbraw/zinc/13/37/90/185133790.db2.gz	UAZKXJHOINNNMJ-UONOGXRCSA-N	1	2	258.321	2.101	1	30		CEEFLO
C[N@H+]1CCO[C@@H]2[C@@H]1c1cc(C#N)ccc1OC2(C)C	ZINC000096941834	185133791	/nfs/dbraw/zinc/13/37/91/185133791.db2.gz	UAZKXJHOINNNMJ-UONOGXRCSA-N	1	2	258.321	2.101	1	30		CEEFLO
C=C(Cn1cc[nH+]c1)c1ccc2c(c1)CCC(=O)N2	ZINC000013449940	170551056	/nfs/dbraw/zinc/55/10/56/170551056.db2.gz	FWMHUFRRIGHDLC-UHFFFAOYSA-N	1	2	253.305	2.481	1	30		CEEFLO
Cc1cn(/C(=N\O)c2cccnc2OCC(C)C)c[nH+]1	ZINC000072179960	176334802	/nfs/dbraw/zinc/33/48/02/176334802.db2.gz	RTRQXRDNCHJZQB-LGMDPLHJSA-N	1	2	274.324	2.305	1	30		CEEFLO
C[N@@H+]1CCc2c(sc(/N=C\c3ccco3)c2C(N)=O)C1	ZINC000013116057	290252780	/nfs/dbraw/zinc/25/27/80/290252780.db2.gz	ZWBYFQRXQGXFRE-APSNUPSMSA-N	1	2	289.360	2.179	1	30		CEEFLO
C[N@H+]1CCc2c(sc(/N=C\c3ccco3)c2C(N)=O)C1	ZINC000013116057	290252781	/nfs/dbraw/zinc/25/27/81/290252781.db2.gz	ZWBYFQRXQGXFRE-APSNUPSMSA-N	1	2	289.360	2.179	1	30		CEEFLO
O=C1/C(=C\c2ccccn2)C[NH2+]C/C1=C/c1ccccn1	ZINC000035000885	171926458	/nfs/dbraw/zinc/92/64/58/171926458.db2.gz	GXFKPANENAOEOK-FOIMCPNXSA-N	1	2	277.327	2.116	1	30		CEEFLO
CCc1[nH+]c(C)c2c(C#N)nc3ccc(OC)nc3n12	ZINC000049112921	522235106	/nfs/dbraw/zinc/23/51/06/522235106.db2.gz	FNEMLGVCPFUZQV-UHFFFAOYSA-N	1	2	267.292	2.029	1	30		CEEFLO
COc1ccc(C(=O)/C(=N/O)SCC[N+](C)(C)C)cc1	ZINC000029411224	717118466	/nfs/dbraw/zinc/11/84/66/717118466.db2.gz	WHDBJRKBMVJWFB-UHFFFAOYSA-O	1	2	297.400	2.105	1	30		CEEFLO
O/N=C1/c2ccc(Cl)cc2OC[C@@H]1n1cc[nH+]c1	ZINC000040762365	174397059	/nfs/dbraw/zinc/39/70/59/174397059.db2.gz	CMOFHCBGGVIUJH-RYPPMWICSA-N	1	2	263.684	2.349	1	30		CEEFLO