smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1	ZINC000000897382	132223757	/nfs/dbraw/zinc/22/37/57/132223757.db2.gz	BLSQLHNBWJLIBQ-ZEQKJWHPSA-N	0	3	532.472	4.463	40	10	in-vitro	KICBHN
CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1	ZINC000003873934	552421411	/nfs/dbraw/zinc/42/14/11/552421411.db2.gz	BLSQLHNBWJLIBQ-JYFHCDHNSA-N	0	3	532.472	4.463	40	10	in-vitro	KICBHN
CC(C)N1CCN(c2ccc(OC[C@@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1	ZINC000003873935	552421392	/nfs/dbraw/zinc/42/13/92/552421392.db2.gz	BLSQLHNBWJLIBQ-BVAGGSTKSA-N	0	3	532.472	4.463	40	10	in-vitro	KICBHN
COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O	ZINC000006144426	552546418	/nfs/dbraw/zinc/54/64/18/552546418.db2.gz	RYPUVJTXNMPBRA-ZRBLBEILSA-N	0	3	505.596	4.269	40	10		KICBHN
CN(C)CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1	ZINC000008820435	553155437	/nfs/dbraw/zinc/15/54/37/553155437.db2.gz	NMUOAYWPWQMZPQ-DDIODMMUSA-N	0	3	509.653	4.191	40	10		KICBHN
CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2ccc(C(=O)OCCN(C)C)cc2)C1=O	ZINC000008820634	553155623	/nfs/dbraw/zinc/15/56/23/553155623.db2.gz	DNDKZWJXTXIFJP-RCYLNMRYSA-N	0	3	509.653	4.191	40	10		KICBHN
COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(C)=O)C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12	ZINC000009009271	553199305	/nfs/dbraw/zinc/19/93/05/553199305.db2.gz	LJXNRCKOTYLNFS-GSTLAZBSSA-N	0	3	509.518	4.166	40	10		KICBHN
COc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(C)=O)C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12	ZINC000009009272	553199217	/nfs/dbraw/zinc/19/92/17/553199217.db2.gz	LJXNRCKOTYLNFS-NANFOGFDSA-N	0	3	509.518	4.166	40	10		KICBHN
COc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(C)=O)C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12	ZINC000009009274	553199230	/nfs/dbraw/zinc/19/92/30/553199230.db2.gz	LJXNRCKOTYLNFS-DAMQTCOWSA-N	0	3	509.518	4.166	40	10		KICBHN
COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)[C@H]2C1=O	ZINC000018021065	553601467	/nfs/dbraw/zinc/60/14/67/553601467.db2.gz	RYPUVJTXNMPBRA-VJBWXMMDSA-N	0	3	505.596	4.269	40	10		KICBHN
COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O	ZINC000100885071	554508343	/nfs/dbraw/zinc/50/83/43/554508343.db2.gz	RYPUVJTXNMPBRA-VABKMULXSA-N	0	3	505.596	4.269	40	10		KICBHN
COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)[C@H]2C1=O	ZINC000100885074	554508431	/nfs/dbraw/zinc/50/84/31/554508431.db2.gz	RYPUVJTXNMPBRA-ZLNRFVROSA-N	0	3	505.596	4.269	40	10		KICBHN
CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C(=O)OCCN(CC)CC)cc3)C2=O)cc1	ZINC000101002562	554553116	/nfs/dbraw/zinc/55/31/16/554553116.db2.gz	DZLYEFLIJCGRIB-QJOMJCCJSA-N	0	3	541.695	4.424	40	10		KICBHN
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C(=O)OCCN(C)C)cc3)C2=O)cc1OC	ZINC000101005600	554553771	/nfs/dbraw/zinc/55/37/71/554553771.db2.gz	IDZPLEJOFRRQSN-QJOMJCCJSA-N	0	3	557.694	4.042	40	10		KICBHN
Cc1ccc([O-])c(C[N@@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c1	ZINC000257326762	572318480	/nfs/dbraw/zinc/31/84/80/572318480.db2.gz	WYMXANSSNVLHGN-MUUNZHRXSA-N	0	3	500.083	4.488	40	10		KICBHN
Cc1ccc([O-])c(C[N@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c1	ZINC000257326762	572318478	/nfs/dbraw/zinc/31/84/78/572318478.db2.gz	WYMXANSSNVLHGN-MUUNZHRXSA-N	0	3	500.083	4.488	40	10		KICBHN
Cc1ccc([O-])c(C[N@@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c1	ZINC000257326763	572318462	/nfs/dbraw/zinc/31/84/62/572318462.db2.gz	WYMXANSSNVLHGN-NDEPHWFRSA-N	0	3	500.083	4.488	40	10		KICBHN
Cc1ccc([O-])c(C[N@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c1	ZINC000257326763	572318461	/nfs/dbraw/zinc/31/84/61/572318461.db2.gz	WYMXANSSNVLHGN-NDEPHWFRSA-N	0	3	500.083	4.488	40	10		KICBHN