smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1NC1=NC(=O)C(=Cc2ccc(O)c(Cl)c2)S1	ZINC000072042039	202365155	/nfs/dbraw/zinc/36/51/55/202365155.db2.gz	BLSNJHZHKDXSGB-DHDCSXOGSA-N	0	1	344.823	4.436	40	10		EICBMN
Cc1ccc(Nc2ccc(O)c3c2C(=O)[C@H]2C=CCC=C2C3=O)c(C)c1	ZINC000068601264	563963293	/nfs/dbraw/zinc/96/32/93/563963293.db2.gz	XCTVLHMEBPTXLG-LSDHHAIUSA-N	0	1	345.398	4.490	40	10		EICBMN
Cc1ccc(Nc2ccc(O)c3c2C(=O)[C@@H]2C=CCC=C2C3=O)c(C)c1	ZINC000100643782	563982690	/nfs/dbraw/zinc/98/26/90/563982690.db2.gz	XCTVLHMEBPTXLG-CABCVRRESA-N	0	1	345.398	4.490	40	10		EICBMN
Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(Cl)cn1	ZINC000016160799	563804845	/nfs/dbraw/zinc/80/48/45/563804845.db2.gz	AGSMJNXHJKIASG-ZROIWOOFSA-N	0	1	347.205	4.107	40	10		EICBMN
CC(C)N1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)SC1=S	ZINC000036613183	201952565	/nfs/dbraw/zinc/95/25/65/201952565.db2.gz	DASBQBTYVOACIY-WMZJFQQLSA-N	0	1	348.276	4.309	40	10		EICBMN
Cc1ccc(Nc2ccc(O)c3c2C(=O)[C@@H]2C=CCC=C2C3=O)c(C)c1	ZINC000100643786	219103654	/nfs/dbraw/zinc/10/36/54/219103654.db2.gz	XCTVLHMEBPTXLG-HUUCEWRRSA-N	0	1	345.398	4.490	40	10		EICBMN
Cc1cc(C=C2NC(=O)NC2=O)c(C)n1-c1ccc2ccccc2c1	ZINC000033248615	564050113	/nfs/dbraw/zinc/05/01/13/564050113.db2.gz	FZEDPVSGOPKZDD-WQRHYEAKSA-N	0	1	331.375	4.268	40	10		EICBMN
Oc1cc2c(cc1O)[C@@H](c1cccc(Oc3ccccc3)c1)NCC2	ZINC000003722903	210073703	/nfs/dbraw/zinc/07/37/03/210073703.db2.gz	DIANRWDVZJCNAA-OAQYLSRUSA-N	0	1	333.387	4.125	40	10		EICBMN
O=C1C=CC(=NNc2n[nH]c(-c3ccc(Br)cc3)n2)C=C1	ZINC000102703594	219223661	/nfs/dbraw/zinc/22/36/61/219223661.db2.gz	SNQXAJCVPFECRN-ZPHPHTNESA-N	0	1	344.172	4.355	40	10		EICBMN
CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccccc1Cl	ZINC000101141306	219117046	/nfs/dbraw/zinc/11/70/46/219117046.db2.gz	JCOYUODHZVWRON-RVDMUPIBSA-N	0	1	325.799	4.367	40	10		EICBMN
Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccccc1Cl	ZINC000101141306	219117047	/nfs/dbraw/zinc/11/70/47/219117047.db2.gz	JCOYUODHZVWRON-RVDMUPIBSA-N	0	1	325.799	4.367	40	10		EICBMN
Cc1ccc(Nc2ccc(O)c3c2C(=O)[C@H]2C=CCC=C2C3=O)c(C)c1	ZINC000100643785	219103380	/nfs/dbraw/zinc/10/33/80/219103380.db2.gz	XCTVLHMEBPTXLG-GJZGRUSLSA-N	0	1	345.398	4.490	40	10		EICBMN
Cc1cc(C)c2c(n[nH]c2NCc2ccc(N3CCCCC3)cc2)n1	ZINC000004907171	210319280	/nfs/dbraw/zinc/31/92/80/210319280.db2.gz	UBUZOLSEEFQVBK-UHFFFAOYSA-N	0	1	335.455	4.177	40	10		EICBMN
Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2	ZINC000085874771	563974025	/nfs/dbraw/zinc/97/40/25/563974025.db2.gz	FBWAJDPTFBTVBL-SPLOXXLWSA-N	0	1	341.451	4.208	40	10		EICBMN
Cc1cccc(NC2=NC(=O)C(=Cc3ccc(O)c(Cl)c3)S2)c1	ZINC000060132549	564050927	/nfs/dbraw/zinc/05/09/27/564050927.db2.gz	LTVIYNCHJUUMLG-DHDCSXOGSA-N	0	1	344.823	4.436	40	10		EICBMN
Cc1cc(C(=O)CNCc2ccccc2)c(C)n1-c1ccccc1F	ZINC000096305895	563980714	/nfs/dbraw/zinc/98/07/14/563980714.db2.gz	NJDGWJLVBVUCDK-UHFFFAOYSA-N	0	1	336.410	4.206	40	10		EICBMN
Oc1cc2c(cc1O)[C@H](c1cccc(Oc3ccccc3)c1)NCC2	ZINC000003722902	210073186	/nfs/dbraw/zinc/07/31/86/210073186.db2.gz	DIANRWDVZJCNAA-NRFANRHFSA-N	0	1	333.387	4.125	40	10		EICBMN
Nc1ccc(Oc2cccc(-c3nc(-c4cccc(N)c4)n[nH]3)c2)cc1	ZINC000255189267	244047478	/nfs/dbraw/zinc/04/74/78/244047478.db2.gz	OTGMKCYNOGGLEG-UHFFFAOYSA-N	0	1	343.390	4.095	40	10		EICBMN
Nc1ccc(Oc2cccc(-c3n[nH]c(-c4cccc(N)c4)n3)c2)cc1	ZINC000255189267	244047487	/nfs/dbraw/zinc/04/74/87/244047487.db2.gz	OTGMKCYNOGGLEG-UHFFFAOYSA-N	0	1	343.390	4.095	40	10		EICBMN
Oc1ccc2cc3c4cc(Br)ccc4nc-3oc2c1O	ZINC000000618213	563359943	/nfs/dbraw/zinc/35/99/43/563359943.db2.gz	FCQJIDKQZXICRE-UHFFFAOYSA-N	0	1	330.137	4.260	40	10		EICBMN