smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(/N=N\c2nc3ccccc3s2)c(C(=O)[O-])c1	ZINC000090685862	203619160	/nfs/dbraw/zinc/61/91/60/203619160.db2.gz	MFIPFYVHTJNYGB-HNENSFHCSA-N	-1	0	326.381	4.476	10	10		EICERM
O=C([O-])c1ccc2c(c1)N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000005338133	205767236	/nfs/dbraw/zinc/76/72/36/205767236.db2.gz	GINIPFAEYBMZGQ-KYJSFNMBSA-N	-1	0	336.347	4.120	10	10		EICERM
CC(=O)Oc1ccc([C@H]2Nc3c(C(=O)[O-])cccc3[C@H]3C=CC[C@@H]32)cc1	ZINC000004123700	563495138	/nfs/dbraw/zinc/49/51/38/563495138.db2.gz	NPEBQWLSFUFZTE-TXPKVOOTSA-N	-1	0	349.386	4.137	10	10		EICERM
Cc1ccccc1N1C(=O)C(=CC=Cc2ccccc2)C(=O)[N-]C1=S	ZINC000033319138	202257684	/nfs/dbraw/zinc/25/76/84/202257684.db2.gz	IPEJRDSHUDHUEF-LRPPNIKISA-N	-1	0	348.427	4.223	10	10		EICERM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1nc2ccccc2s1	ZINC000100390611	203993837	/nfs/dbraw/zinc/99/38/37/203993837.db2.gz	ALTDCLQPJJVVPW-FZFLATATSA-N	-1	0	335.392	4.171	10	10		EICERM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1nc2ccccc2s1	ZINC000100390609	203994392	/nfs/dbraw/zinc/99/43/92/203994392.db2.gz	ALTDCLQPJJVVPW-MVZUJROASA-N	-1	0	335.392	4.171	10	10		EICERM
O=C([O-])c1cc(-c2ccccc2)sc1NC(=O)c1cccs1	ZINC000020335025	202039153	/nfs/dbraw/zinc/03/91/53/202039153.db2.gz	NFSIGNZMFGXTDE-UHFFFAOYSA-N	-1	0	329.402	4.427	10	10		EICERM
CCO[P@@](=O)(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1[S-]	ZINC000100330583	219097092	/nfs/dbraw/zinc/09/70/92/219097092.db2.gz	JICAUMGOGFWSKS-LRTDBIEQSA-N	-1	0	339.309	4.068	10	10		EICERM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1nc2ccccc2s1	ZINC000100390614	219098598	/nfs/dbraw/zinc/09/85/98/219098598.db2.gz	ALTDCLQPJJVVPW-DNTCVELPSA-N	-1	0	335.392	4.171	10	10		EICERM
CC(C)c1cc2c(c(O)c1O)[C@]1(C(=O)[O-])CCCC(C)(C)[C@H]1CC2	ZINC000008681607	210979215	/nfs/dbraw/zinc/97/92/15/210979215.db2.gz	QRYRORQUOLYVBU-VLIAUNLRSA-N	-1	0	332.440	4.316	10	10		EICERM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	ZINC000005127739	210396892	/nfs/dbraw/zinc/39/68/92/210396892.db2.gz	UFPMJQOFADETFW-MPGHIAIKSA-N	-1	0	336.347	4.120	10	10		EICERM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1nc2ccccc2s1	ZINC000255962487	244049766	/nfs/dbraw/zinc/04/97/66/244049766.db2.gz	ALTDCLQPJJVVPW-HNNXBMFYSA-N	-1	0	335.392	4.171	10	10		EICERM
O=C([O-])c1cc(-c2ccccc2)sc1NC(=O)Cc1cccs1	ZINC000020335053	212120557	/nfs/dbraw/zinc/12/05/57/212120557.db2.gz	ICNGZOXBFSSDLP-UHFFFAOYSA-N	-1	0	343.429	4.356	10	10		EICERM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2	ZINC000005127732	210396793	/nfs/dbraw/zinc/39/67/93/210396793.db2.gz	UFPMJQOFADETFW-HDMKZQKVSA-N	-1	0	336.347	4.120	10	10		EICERM
O=C([O-])c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21	ZINC000004982435	210348036	/nfs/dbraw/zinc/34/80/36/210348036.db2.gz	WOKVXSNZKHRNTH-ZQIUZPCESA-N	-1	0	336.347	4.120	10	10		EICERM
O=C([O-])c1cc(-c2ccccc2)sc1NC(=O)Cc1ccccc1	ZINC000020335056	212120571	/nfs/dbraw/zinc/12/05/71/212120571.db2.gz	RARTXOFDSDQZJY-UHFFFAOYSA-N	-1	0	337.400	4.295	10	10		EICERM
CC(=O)Oc1ccc([C@H]2Nc3c(C(=O)[O-])cccc3[C@H]3C=CC[C@H]32)cc1	ZINC000004123698	210125899	/nfs/dbraw/zinc/12/58/99/210125899.db2.gz	NPEBQWLSFUFZTE-FRQCXROJSA-N	-1	0	349.386	4.137	10	10		EICERM
Cc1cc(C(=O)[O-])c(C)n1-c1cc(Br)ccc1Cl	ZINC000103939612	219330890	/nfs/dbraw/zinc/33/08/90/219330890.db2.gz	YUWPSUPETSZXKS-UHFFFAOYSA-N	-1	0	328.593	4.208	10	10		EICERM
O=C([O-])c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000004635320	210235863	/nfs/dbraw/zinc/23/58/63/210235863.db2.gz	WOKVXSNZKHRNTH-JJRVBVJISA-N	-1	0	336.347	4.120	10	10		EICERM
O=C([O-])c1ccc(-c2cccnc2)nc1Nc1cccc(Cl)c1	ZINC000098181181	219086325	/nfs/dbraw/zinc/08/63/25/219086325.db2.gz	ACVYLTZYUQCTSA-UHFFFAOYSA-N	-1	0	325.755	4.239	10	10		EICERM
C/C(Cl)=C/Cc1c([O-])n(-c2ccccc2)n(-c2ccccc2)c1=O	ZINC000100385103	219098060	/nfs/dbraw/zinc/09/80/60/219098060.db2.gz	UQDJZHBCEVUVNR-OWBHPGMISA-N	-1	0	340.810	4.130	10	10		EICERM
Cc1oc(C(=O)[O-])cc1COc1ccc(Cl)cc1Br	ZINC000011799212	211248004	/nfs/dbraw/zinc/24/80/04/211248004.db2.gz	DPDCZPQYBLQIMC-UHFFFAOYSA-N	-1	0	345.576	4.281	10	10		EICERM
O=C([O-])c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000004982436	210348024	/nfs/dbraw/zinc/34/80/24/210348024.db2.gz	WOKVXSNZKHRNTH-VBQJREDUSA-N	-1	0	336.347	4.120	10	10		EICERM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1nc2ccccc2s1	ZINC000100390617	219098084	/nfs/dbraw/zinc/09/80/84/219098084.db2.gz	ALTDCLQPJJVVPW-CVTQAYBASA-N	-1	0	335.392	4.171	10	10		EICERM
COc1ccccc1N=Cc1c(C)[n-]n(-c2ccc(C)cc2C)c1=O	ZINC000101350349	219123088	/nfs/dbraw/zinc/12/30/88/219123088.db2.gz	KPLOQJZRMKBOPZ-VBKFSLOCSA-N	-1	0	335.407	4.031	10	10		EICERM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2	ZINC000005127735	210396757	/nfs/dbraw/zinc/39/67/57/210396757.db2.gz	UFPMJQOFADETFW-RLFYNMQTSA-N	-1	0	336.347	4.120	10	10		EICERM
CN(C)c1ccc(N=Nc2nc3ccccc3s2)c(C(=O)[O-])c1	ZINC000255987313	244058340	/nfs/dbraw/zinc/05/83/40/244058340.db2.gz	MFIPFYVHTJNYGB-UHFFFAOYSA-N	-1	0	326.381	4.476	10	10		EICERM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	ZINC000004635319	210235531	/nfs/dbraw/zinc/23/55/31/210235531.db2.gz	UFPMJQOFADETFW-DAYGRLMNSA-N	-1	0	336.347	4.120	10	10		EICERM