smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)c1ccc([O-])cc1	ZINC000005750178	204149911	/nfs/dbraw/zinc/14/99/11/204149911.db2.gz	ZLTRPBUAEUUPGI-ZROIWOOFSA-N	-1	3	390.873	3.592	10	10		GHCEHM
CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)N3CCCCCC3)CC2)c1[O-]	ZINC000176991767	882756495	/nfs/dbraw/zinc/75/64/95/882756495.db2.gz	ZUZMYNDMAPOYHC-UHFFFAOYSA-N	-1	3	392.927	3.863	10	10		GHCEHM
CC(=Nc1ccc(Cn2cnnc2)cc1)c1c(C)[n-]n(-c2ccc(F)cc2)c1=O	ZINC000017079611	570940444	/nfs/dbraw/zinc/94/04/44/570940444.db2.gz	KJFDLQVPNFJCON-XSFVSMFZSA-N	-1	3	390.422	3.574	10	10		GHCEHM
Cc1nc([C@@H](NCc2cc(Br)ccc2[O-])c2ccccc2F)no1	ZINC000114773148	870169352	/nfs/dbraw/zinc/16/93/52/870169352.db2.gz	YJXLTCFDIAQKOW-INIZCTEOSA-N	-1	3	392.228	3.864	10	10		GHCEHM
O=C(C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1)N1CCCCCC1	ZINC000121032877	876454469	/nfs/dbraw/zinc/45/44/69/876454469.db2.gz	OYDNQHXBPNPBOZ-UHFFFAOYSA-N	-1	3	395.887	3.568	10	10		GHCEHM
CC(=C\c1ccccc1)/C=C1/SC(=S)N(NC(=O)c2ccc([O-])cc2)C1=O	ZINC000026779833	570437385	/nfs/dbraw/zinc/43/73/85/570437385.db2.gz	FCMXIGIBNGBWOZ-QKIOLIMFSA-N	-1	3	396.493	3.885	10	10		GHCEHM
O=C(NN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)c1ccc([O-])cc1	ZINC000005771242	204151294	/nfs/dbraw/zinc/15/12/94/204151294.db2.gz	PWBIQKOYEJUYBM-ZROIWOOFSA-N	-1	3	390.873	3.592	10	10		GHCEHM
CCOC(=O)c1c(C)oc2c1c(CN1CCN(C)CC1)c([O-])c1ccccc21	ZINC000022585529	207257195	/nfs/dbraw/zinc/25/71/95/207257195.db2.gz	YTZYXCPUTUKJMF-UHFFFAOYSA-N	-1	3	382.460	3.524	10	10		GHCEHM
Cc1cc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c(C)n1-c1ccccn1	ZINC000108152427	838902236	/nfs/dbraw/zinc/90/22/36/838902236.db2.gz	IUDGITMJBMPXEU-UHFFFAOYSA-N	-1	3	399.454	3.800	10	10		GHCEHM
CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1)C[C@@H](c1ccccc1[O-])N2	ZINC000032955232	570442649	/nfs/dbraw/zinc/44/26/49/570442649.db2.gz	QEXNHPIRCXNWEL-FQEVSTJZSA-N	-1	3	393.487	3.865	10	10		GHCEHM
CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1)C[C@H](c1ccccc1[O-])N2	ZINC000032955230	210607487	/nfs/dbraw/zinc/60/74/87/210607487.db2.gz	QEXNHPIRCXNWEL-HXUWFJFHSA-N	-1	3	393.487	3.865	10	10		GHCEHM
Cc1nc([C@H](NCc2cc(Br)ccc2[O-])c2ccccc2F)no1	ZINC000114773145	870169372	/nfs/dbraw/zinc/16/93/72/870169372.db2.gz	YJXLTCFDIAQKOW-MRXNPFEDSA-N	-1	3	392.228	3.864	10	10		GHCEHM
Cc1[n-]n(-c2cccc3ccccc32)c(=O)c1C=Nc1ccc2[nH]c(=O)[nH]c2c1	ZINC000101114334	528149808	/nfs/dbraw/zinc/14/98/08/528149808.db2.gz	DGRDQCHLFHIKGP-SFQUDFHCSA-N	-1	3	383.411	3.728	10	10		GHCEHM
Cc1cc(NC(=O)C2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)no1	ZINC000179856555	883033135	/nfs/dbraw/zinc/03/31/35/883033135.db2.gz	WPJPPJSGBSHOAT-UHFFFAOYSA-N	-1	3	384.263	3.846	10	10		GHCEHM
CC(/C=C1/SC(=S)N([N-]C(=O)c2cccnc2)C1=O)=C/c1ccccc1	ZINC000006184929	220923157	/nfs/dbraw/zinc/92/31/57/220923157.db2.gz	HKSSAIYIDJUMME-OBHNZGETSA-N	-1	3	381.482	3.574	10	10		GHCEHM