smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(O)c2c(c1)C(=O)c1cc3c(c([O-])c1C2=O)[C@@H](O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1OC)[C@@H](OC)[C@](C)(O)C3=O	ZINC000004933972	552489783	/nfs/dbraw/zinc/48/97/83/552489783.db2.gz	HWMJTJZEJBSVCG-XQXWFSOWSA-N	-1	0	574.535	0.383	40	10	in-man	KCCBRM
COc1cc(O)c2c(c1)C(=O)c1cc3c(c([O-])c1C2=O)[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@@H]1OC)[C@@H](OC)[C@](C)(O)C3=O	ZINC000004933973	552489815	/nfs/dbraw/zinc/48/98/15/552489815.db2.gz	HWMJTJZEJBSVCG-HOOHVNOESA-N	-1	0	574.535	0.383	40	10	in-man	KCCBRM
COc1cc(O)c2c(c1)C(=O)c1cc3c(c([O-])c1C2=O)[C@@H](O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1OC)[C@@H](OC)[C@](C)(O)C3=O	ZINC000004933974	552489809	/nfs/dbraw/zinc/48/98/09/552489809.db2.gz	HWMJTJZEJBSVCG-LSFJDVPESA-N	-1	0	574.535	0.383	40	10	in-man	KCCBRM
COc1cc(O)c2c(c1)C(=O)c1cc3c(c([O-])c1C2=O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1OC)[C@@H](OC)[C@](C)(O)C3=O	ZINC000004933975	552489759	/nfs/dbraw/zinc/48/97/59/552489759.db2.gz	HWMJTJZEJBSVCG-AMYGVTSUSA-N	-1	0	574.535	0.383	40	10	in-man	KCCBRM
COCCN1C(=O)[N-]C(=O)/C(=C/c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O	ZINC000009122754	1066291997	/nfs/dbraw/zinc/29/19/97/1066291997.db2.gz	ZYSXPJMCXYUKGZ-XOQYZJNISA-N	-1	0	509.519	0.357	40	10		KCCBRM
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H]([N-]C(=O)C(F)(F)F)[C@H](O)[C@H](C)O1	ZINC000095618916	1066292904	/nfs/dbraw/zinc/29/29/04/1066292904.db2.gz	RQIOYWADAKTIJC-XUKKXQNXSA-N	-1	0	639.532	0.721	40	10	world	KCCBRM
O=C1[N-]C(=O)C(=CNNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1	ZINC000103766607	555473417	/nfs/dbraw/zinc/47/34/17/555473417.db2.gz	KOYXZRYDZYXXTK-UHFFFAOYSA-N	-1	0	560.505	0.180	40	10		KCCBRM
O=C1[N-]C(=O)C(=CNNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(Cc3ccccc3)CC2)C(=O)N1	ZINC000103766613	555473375	/nfs/dbraw/zinc/47/33/75/555473375.db2.gz	LVPYATMQEQERDT-UHFFFAOYSA-N	-1	0	529.535	0.268	40	10		KCCBRM
CCN(CC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NNC=C2C(=O)[N-]C(=O)NC2=O)C1	ZINC000103766660	555473356	/nfs/dbraw/zinc/47/33/56/555473356.db2.gz	MCTILCTYAAVJAZ-CYBMUJFWSA-N	-1	0	537.555	0.030	40	10		KCCBRM
CCN(CC)C(=O)[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NNC=C2C(=O)[N-]C(=O)NC2=O)C1	ZINC000103766665	555473423	/nfs/dbraw/zinc/47/34/23/555473423.db2.gz	MCTILCTYAAVJAZ-ZDUSSCGKSA-N	-1	0	537.555	0.030	40	10		KCCBRM