smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N[C@@H](Cc1ccc(N(C(=O)C(=O)[O-])c2ccccc2C(=O)[O-])c(CCO)c1)C(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000042919866	581098679	/nfs/dbraw/zinc/09/86/79/581098679.db2.gz	AYQVMTSOZRHGGU-QHCPKHFHSA-N	-2	0	592.561	1.941	1	5		KDBFRL
CC(=O)N[C@H](Cc1ccc(N(C(=O)C(=O)[O-])c2ccccc2C(=O)[O-])c(CCO)c1)C(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000042919867	581098678	/nfs/dbraw/zinc/09/86/78/581098678.db2.gz	AYQVMTSOZRHGGU-HSZRJFAPSA-N	-2	0	592.561	1.941	1	5		KDBFRL
COc1cccc(OC)c1C(=O)N[C@@H](CCCCNC(=O)c1cccc(OCC(=O)[O-])c1)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])c([O-])c1)C(N)=O	ZINC000049780079	562681335	/nfs/dbraw/zinc/68/13/35/562681335.db2.gz	SPPASKCWDHMFQS-GOTSBHOMSA-N	-2	0	695.682	1.693	1	5		KDBFRL
COc1cc(OC)cc(C(=O)N[C@@H](CCCNC(=O)c2cccc(OCC(=O)[O-])c2)C(=O)N[C@@H](Cc2ccc([N+](=O)[O-])c([O-])c2)C(N)=O)c1	ZINC000049780519	562681886	/nfs/dbraw/zinc/68/18/86/562681886.db2.gz	KVORYJNZOZKTGQ-DQEYMECFSA-N	-2	0	681.655	1.302	1	5		KDBFRL
O=c1[nH]c(SCc2ccc([N+](=O)[O-])cc2Cl)nc2[nH]c([C@H]3O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]3O)nc21	ZINC000049792722	562684486	/nfs/dbraw/zinc/68/44/86/562684486.db2.gz	ZLCKIAFHCBNXGY-BQUFFADESA-N	-2	0	549.842	1.183	1	5		KDBFRL
O=c1[nH]c(SCc2ccc([N+](=O)[O-])cc2Cl)nc2[nH]c([C@@H]3O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]3O)nc21	ZINC000049792723	562684496	/nfs/dbraw/zinc/68/44/96/562684496.db2.gz	ZLCKIAFHCBNXGY-XYJRDEOASA-N	-2	0	549.842	1.183	1	5		KDBFRL
Nc1nc(=O)c(CCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])c(N)[nH]1	ZINC000053093611	562696253	/nfs/dbraw/zinc/69/62/53/562696253.db2.gz	YZJBDWKZIRXYBB-INIZCTEOSA-N	-2	0	588.509	1.869	1	5		KDBFRL
Nc1nc(=O)c(CCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])c(N)[nH]1	ZINC000053093612	562696227	/nfs/dbraw/zinc/69/62/27/562696227.db2.gz	YZJBDWKZIRXYBB-MRXNPFEDSA-N	-2	0	588.509	1.869	1	5		KDBFRL
O=C([O-])c1cc(C(=O)NCCCCO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc(-c2c3ccc([O-])cc3oc3cc(=O)ccc2-3)c1	ZINC000084561280	562743350	/nfs/dbraw/zinc/74/33/50/562743350.db2.gz	HJSISZYGPBMIJW-KULBADPZSA-N	-2	0	609.584	1.295	1	5		KDBFRL
O=C([O-])CC[C@H](N[P@@](=O)([O-])OC[C@H](NC(=O)CC[C@H](NC(=O)c1ccc(-c2c3ccc([O-])cc3oc3cc(=O)ccc2-3)c(C(=O)[O-])c1)C(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000095548801	562759489	/nfs/dbraw/zinc/75/94/89/562759489.db2.gz	MWPSEIQQEIKFDS-HJOGWXRNSA-N	-7	0	801.607	1.526	1	5		KDBFRL
O=C(CCCc1ccc2ccc3cccc4ccc1c2c34)NCCCO[P@@](=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]1O	ZINC000095614723	562786852	/nfs/dbraw/zinc/78/68/52/562786852.db2.gz	CKAWUTLAQPXABN-OFJDXLRISA-N	-5	0	747.520	1.967	1	5		KDBFRL
Nc1nc2ccc3ccc(NS(=O)(=O)c4ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc4)cc3c2c(=O)[nH]1	ZINC000100889258	562808471	/nfs/dbraw/zinc/80/84/71/562808471.db2.gz	ZKZXIYNNIUIQOE-SFHVURJKSA-N	-2	0	539.526	1.919	1	5		KDBFRL
COc1c(C)c2c(c(O)c1CCO[P@](=O)([O-])C[P@@](=O)([O-])OC[C@H]1O[C@@H](n3cnc4c3cccc4[N+](=O)[O-])[C@H](O)[C@@H]1O)C(=O)OC2	ZINC000150591178	562846211	/nfs/dbraw/zinc/84/62/11/562846211.db2.gz	NKLXGMQCNUOKOB-ZAHKBLQYSA-N	-2	0	673.461	1.861	1	5		KDBFRL
O=C([O-])CC[C@H](NC(=O)N[C@@H](CCCCn1nnc(COCCOCCOCCOCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1I)C(=O)[O-])C(=O)[O-]	ZINC000653724640	562908928	/nfs/dbraw/zinc/90/89/28/562908928.db2.gz	VXEQRAURWQBLEN-VXKWHMMOSA-N	-3	0	868.592	1.618	1	5		KDBFRL