smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCCCCCCCCC[N+](C)(C)C)C2	ZINC000014947227	717111157	/nfs/dbraw/zinc/11/11/57/717111157.db2.gz	YFOICIKINPJQRA-ZBQRRTSWSA-N	2	1	499.760	5.828	1	5		JKBFMP
C[N+]1(Cc2ccc(Cl)c(Cl)c2)CCC[C@H]1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1	ZINC000073292426	717134150	/nfs/dbraw/zinc/13/41/50/717134150.db2.gz	VCNWWPPKTLBCIZ-SKOIZEAASA-N	2	1	487.322	7.321	1	5		JKBFMP
Cc1ccc(CCC[N+]23CCC(CC2)[C@@H](OC(=O)C2(C4=CC=CC4)CCCCCC2)C3)c(C)[nH+]1	ZINC000103288765	717146607	/nfs/dbraw/zinc/14/66/07/717146607.db2.gz	LVHKGMAYXOTDSE-AJXMQQCNSA-N	2	1	463.686	6.010	1	5		JKBFMP
COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCCCCCCC[N+](C)(C)C)C2	ZINC000014947226	717111339	/nfs/dbraw/zinc/11/13/39/717111339.db2.gz	YJBQVJTYPHTADY-MIUCGUHXSA-N	2	1	471.706	5.048	1	5		JKBFMP
CC[NH+](CC)CCCNc1[nH+]ccc2c(C)c3[nH]c4ccc(OCc5ccccc5)cc4c3cc21	ZINC000028226824	563058090	/nfs/dbraw/zinc/05/80/90/563058090.db2.gz	DZSGCZDPNRTQIG-UHFFFAOYSA-N	2	1	466.629	6.901	1	5		JKBFMP
C[N@H+]1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(ccc2OCCCCCCCCCC[N+](C)(C)C)C1	ZINC000014947233	717111085	/nfs/dbraw/zinc/11/10/85/717111085.db2.gz	CXCPABHZGCUHEL-MIUCGUHXSA-N	2	1	471.706	5.048	1	5		JKBFMP
c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=[NH+]\CCC[NH+]2CCOCC2)cc1	ZINC000027649748	563048526	/nfs/dbraw/zinc/04/85/26/563048526.db2.gz	NKEMRWNNYKKFCB-QVAGMWBUSA-N	2	1	489.623	5.497	1	5		JKBFMP
CC[N@@H+]1CCC[C@@H](/[NH+]=c2\cc3n(-c4ccccc4)c4ccccc4nc-3cc2Nc2ccccc2)C1	ZINC000027652481	563048825	/nfs/dbraw/zinc/04/88/25/563048825.db2.gz	IBIHBPUMQXVGGF-WZPUWYJRSA-N	2	1	473.624	6.259	1	5		JKBFMP
CC[N@H+]1CCC[C@@H](/[NH+]=c2\cc3n(-c4ccccc4)c4ccccc4nc-3cc2Nc2ccccc2)C1	ZINC000027652481	563048826	/nfs/dbraw/zinc/04/88/26/563048826.db2.gz	IBIHBPUMQXVGGF-WZPUWYJRSA-N	2	1	473.624	6.259	1	5		JKBFMP
Cc1cc(CCC[N+]23CCC(CC2)[C@@H](OC(=O)[C@](C)(c2ccccc2)N2CCCCC2)C3)cc(C)[nH+]1	ZINC000073160299	717133548	/nfs/dbraw/zinc/13/35/48/717133548.db2.gz	OSCMWRVJRBRUDD-ZMJBPPSBSA-N	2	1	490.712	5.185	1	5		JKBFMP
OCC[NH2+]CC/[NH+]=c1\cc2n(-c3ccccc3)c3ccc(Cl)cc3nc-2cc1Nc1ccccc1	ZINC000027644112	563048228	/nfs/dbraw/zinc/04/82/28/563048228.db2.gz	SHHONFRWUKODNH-UQRQXUALSA-N	2	1	484.003	5.010	1	5		JKBFMP
CC[N@H+]1CCC[C@@H]1C/[NH+]=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1	ZINC000027653104	563048837	/nfs/dbraw/zinc/04/88/37/563048837.db2.gz	DZFVFGGZJZYPHO-CMGJMWEPSA-N	2	1	473.624	6.259	1	5		JKBFMP
C[N+]1(Cc2ccc(Cl)c(Cl)c2)CCC[C@@H]1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1	ZINC000073292423	717134396	/nfs/dbraw/zinc/13/43/96/717134396.db2.gz	VCNWWPPKTLBCIZ-JGQZTWHJSA-N	2	1	487.322	7.321	1	5		JKBFMP
CC[N@H+]1CCC[C@H]1C/[NH+]=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1	ZINC000027653107	563048803	/nfs/dbraw/zinc/04/88/03/563048803.db2.gz	DZFVFGGZJZYPHO-PVLKXOFFSA-N	2	1	473.624	6.259	1	5		JKBFMP
C[N@H+]1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(ccc2OCCCCCCCCCCCC[N+](C)(C)C)C1	ZINC000014947234	717111181	/nfs/dbraw/zinc/11/11/81/717111181.db2.gz	VTSGPEONETVLBC-ZBQRRTSWSA-N	2	1	499.760	5.828	1	5		JKBFMP
c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=[NH+]\CC[NH+]2CCCCC2)cc1	ZINC000027652462	563048843	/nfs/dbraw/zinc/04/88/43/563048843.db2.gz	JNEYQPSGFJMPIP-QVAGMWBUSA-N	2	1	473.624	6.261	1	5		JKBFMP
c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=[NH+]\CC[NH+]2CCCC2)cc1	ZINC000027642874	563048220	/nfs/dbraw/zinc/04/82/20/563048220.db2.gz	DDZAUBOEROFQSG-GKPLWNPISA-N	2	1	459.597	5.870	1	5		JKBFMP
CC[N@@H+]1CCC[C@H](/[NH+]=c2\cc3n(-c4ccccc4)c4ccccc4nc-3cc2Nc2ccccc2)C1	ZINC000027652485	563048819	/nfs/dbraw/zinc/04/88/19/563048819.db2.gz	IBIHBPUMQXVGGF-NOQFLZDHSA-N	2	1	473.624	6.259	1	5		JKBFMP
CC[N@H+]1CCC[C@H](/[NH+]=c2\cc3n(-c4ccccc4)c4ccccc4nc-3cc2Nc2ccccc2)C1	ZINC000027652485	563048820	/nfs/dbraw/zinc/04/88/20/563048820.db2.gz	IBIHBPUMQXVGGF-NOQFLZDHSA-N	2	1	473.624	6.259	1	5		JKBFMP