smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(/C=C2/N=C(c3ccccc3)N(C(=O)c3ccc(C)cc3)[N-]C2=O)cc1	ZINC000064503443	205190328	/nfs/dbraw/zinc/19/03/28/205190328.db2.gz	OORVTADXZSHGNW-CJLVFECKSA-N	-1	0	395.462	4.278	1	10		GICFRM
CC(=O)Oc1ccc([C@H]2Nc3c(C(=O)[O-])ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1	ZINC000101673279	570284634	/nfs/dbraw/zinc/28/46/34/570284634.db2.gz	LFUPVDOJTYKZBC-ZRGWGRIASA-N	-1	0	394.383	4.045	1	10		GICFRM
Cc1ccccc1[C@H]1Nc2ccc(C(=O)NCCC(=O)[O-])cc2[C@H]2C=CC[C@@H]21	ZINC000004623638	204057684	/nfs/dbraw/zinc/05/76/84/204057684.db2.gz	ZWIATWQRWNERTL-NPPFBWRTSA-N	-1	0	376.456	4.026	2	10		GICFRM
Cc1cccc([C@H]2Nc3ccc(C(=O)NCCC(=O)[O-])cc3[C@H]3C=CC[C@H]32)c1	ZINC000004623591	204058420	/nfs/dbraw/zinc/05/84/20/204058420.db2.gz	MRNCWLHCXNCXOA-NJNPRVFISA-N	-1	0	376.456	4.026	2	10		GICFRM
Cc1cccc([C@H]2Nc3ccc(C(=O)NCCC(=O)[O-])cc3[C@H]3C=CC[C@@H]32)c1	ZINC000004623596	204057790	/nfs/dbraw/zinc/05/77/90/204057790.db2.gz	MRNCWLHCXNCXOA-NPPFBWRTSA-N	-1	0	376.456	4.026	2	10		GICFRM
O=S(=O)([N-]c1nc(-c2ccc(Br)cc2)cs1)c1ccccc1	ZINC000005392779	204130821	/nfs/dbraw/zinc/13/08/21/204130821.db2.gz	YMAPIZCESRQBEB-UHFFFAOYSA-N	-1	0	395.303	4.373	1	10		GICFRM
O=C([O-])CCc1ccc(-c2ccc(-n3ccnc3)s2)n1-c1ccc(O)cc1	ZINC000084602092	208093340	/nfs/dbraw/zinc/09/33/40/208093340.db2.gz	KJKMJXDLYNRONJ-UHFFFAOYSA-N	-1	0	379.441	4.114	1	10		GICFRM
O=S(=O)([O-])c1cc(O)c(NCc2c(O)ccc3ccccc32)c2ccccc21	ZINC000013864586	207003139	/nfs/dbraw/zinc/00/31/39/207003139.db2.gz	SUFNGCYYTOFQKY-UHFFFAOYSA-N	-1	0	395.436	4.263	1	10		GICFRM
C[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000028820600	207348401	/nfs/dbraw/zinc/34/84/01/207348401.db2.gz	RUAGBHADWZJCJI-SNVBAGLBSA-N	-1	0	399.299	4.090	1	10		GICFRM
O=C([O-])CCN1C(=O)/C(=C/c2csc3ccc(Cl)cc23)SC1=S	ZINC000084668923	208094864	/nfs/dbraw/zinc/09/48/64/208094864.db2.gz	GDPMGNBUYVVMDO-XGICHPGQSA-N	-1	0	383.903	4.231	1	10		GICFRM
O=C(Nc1ccc(CCc2ccc(O)c(O)c2)cc1)c1cccc(Cl)c1[O-]	ZINC000096305591	208304452	/nfs/dbraw/zinc/30/44/52/208304452.db2.gz	LDRFMYPQOTVZTR-UHFFFAOYSA-N	-1	0	383.831	4.494	1	10		GICFRM
Cc1cc(N)ccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(-n2ccnc2)cc1	ZINC000084614837	211170458	/nfs/dbraw/zinc/17/04/58/211170458.db2.gz	HRLGGBLFSBCNIV-UHFFFAOYSA-N	-1	0	386.455	4.238	1	10		GICFRM
COc1ccc(N2N=C(c3ccccc3)/C(=C/c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000064447329	210938711	/nfs/dbraw/zinc/93/87/11/210938711.db2.gz	WZCKXDQMLDDARA-QNGOZBTKSA-N	-1	0	398.418	4.228	1	10		GICFRM
Nc1ccc(NC(=O)/C=C/c2c(C(=O)[O-])[nH]c3cc(Cl)cc(Cl)c32)cc1	ZINC000013761279	221287890	/nfs/dbraw/zinc/28/78/90/221287890.db2.gz	ZITMZNXVJYIWKP-AATRIKPKSA-N	-1	0	390.226	4.407	1	10		GICFRM
O=C([O-])c1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc1	ZINC000064448412	222070969	/nfs/dbraw/zinc/07/09/69/222070969.db2.gz	ORQDYVINJXCMJR-ZHZULCJRSA-N	-1	0	386.382	4.358	1	10		GICFRM
COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc(Cl)cc(Cl)c3[O-])C2)cc1	ZINC000095560022	222354994	/nfs/dbraw/zinc/35/49/94/222354994.db2.gz	PPIOYFAIYQPELP-QGZVFWFLSA-N	-1	0	379.243	4.405	1	10		GICFRM
O=C(OCc1ccccc1)c1sc2c(cc(O)c([O-])c2[N+](=O)[O-])c1Cl	ZINC000049068034	581096408	/nfs/dbraw/zinc/09/64/08/581096408.db2.gz	OCQZLJSJWBLRML-UHFFFAOYSA-N	-1	0	379.777	4.231	1	10		GICFRM
Cc1nccn1-c1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(O)cc2)cc1	ZINC000084604882	222318269	/nfs/dbraw/zinc/31/82/69/222318269.db2.gz	YKQINBHJBBSDJG-UHFFFAOYSA-N	-1	0	387.439	4.361	1	10		GICFRM
Cc1cc(O)ccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(-n2ccnc2)cc1	ZINC000084603499	222318489	/nfs/dbraw/zinc/31/84/89/222318489.db2.gz	MZLPSUVHDZWHFV-UHFFFAOYSA-N	-1	0	387.439	4.361	1	10		GICFRM
COc1ccc(C2=NN(C(C)=O)[C@H](c3cc(Cl)cc(Cl)c3[O-])C2)cc1	ZINC000095560021	222354541	/nfs/dbraw/zinc/35/45/41/222354541.db2.gz	PPIOYFAIYQPELP-KRWDZBQOSA-N	-1	0	379.243	4.405	1	10		GICFRM
O=S(=O)([N-]c1nc(-c2ccccc2Br)cs1)c1ccccc1	ZINC000095563120	222356378	/nfs/dbraw/zinc/35/63/78/222356378.db2.gz	WYSRMXADGCJJRG-UHFFFAOYSA-N	-1	0	395.303	4.373	1	10		GICFRM