smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](C(=O)[O-])N1C(=O)c2c(c(Cl)ccc2Cl)C1C#N	ZINC000071681440	176245240	/nfs/dbraw/zinc/24/52/40/176245240.db2.gz	DHJCYKPBVYERDL-XRGYYRRGSA-N	-1	2	299.113	2.487	10	30		CEEELM
C[C@H](C(=O)[O-])N1C(=O)c2c(c(Cl)ccc2Cl)[C@@H]1C#N	ZINC000071681440	176245242	/nfs/dbraw/zinc/24/52/42/176245242.db2.gz	DHJCYKPBVYERDL-XRGYYRRGSA-N	-1	2	299.113	2.487	10	30		CEEELM
C[C@@H](C(=O)[O-])N1C(=O)c2c(c(Cl)ccc2Cl)C1C#N	ZINC000071681435	176245499	/nfs/dbraw/zinc/24/54/99/176245499.db2.gz	DHJCYKPBVYERDL-YLWLKBPMSA-N	-1	2	299.113	2.487	10	30		CEEELM
C[C@@H](C(=O)[O-])N1C(=O)c2c(c(Cl)ccc2Cl)[C@H]1C#N	ZINC000071681435	176245500	/nfs/dbraw/zinc/24/55/00/176245500.db2.gz	DHJCYKPBVYERDL-YLWLKBPMSA-N	-1	2	299.113	2.487	10	30		CEEELM
N#C[C@H]1c2cc(Cl)cc(Cl)c2C(=O)N1CCC(=O)[O-]	ZINC000071681652	176245791	/nfs/dbraw/zinc/24/57/91/176245791.db2.gz	DVWDVBHRMGUDSP-VIFPVBQESA-N	-1	2	299.113	2.489	10	30		CEEELM
N#CC1c2cc(Cl)cc(Cl)c2C(=O)N1CCC(=O)[O-]	ZINC000071681652	176245793	/nfs/dbraw/zinc/24/57/93/176245793.db2.gz	DVWDVBHRMGUDSP-VIFPVBQESA-N	-1	2	299.113	2.489	10	30		CEEELM
C[C@H](C(=O)[O-])N1C(=O)c2c(cc(Cl)cc2Cl)[C@@H]1C#N	ZINC000071681651	176245219	/nfs/dbraw/zinc/24/52/19/176245219.db2.gz	TUIFZGGKEDNIAO-ANLVUFKYSA-N	-1	2	299.113	2.487	10	30		CEEELM
C[C@H](C(=O)[O-])N1C(=O)c2c(cc(Cl)cc2Cl)C1C#N	ZINC000071681651	176245221	/nfs/dbraw/zinc/24/52/21/176245221.db2.gz	TUIFZGGKEDNIAO-ANLVUFKYSA-N	-1	2	299.113	2.487	10	30		CEEELM
C[C@@H](C(=O)[O-])N1C(=O)c2c(c(Cl)ccc2Cl)C1C#N	ZINC000071681439	176245389	/nfs/dbraw/zinc/24/53/89/176245389.db2.gz	DHJCYKPBVYERDL-XNCJUZBTSA-N	-1	2	299.113	2.487	10	30		CEEELM
C[C@@H](C(=O)[O-])N1C(=O)c2c(c(Cl)ccc2Cl)[C@@H]1C#N	ZINC000071681439	176245390	/nfs/dbraw/zinc/24/53/90/176245390.db2.gz	DHJCYKPBVYERDL-XNCJUZBTSA-N	-1	2	299.113	2.487	10	30		CEEELM
N#C[C@@H]1c2cc(Cl)cc(Cl)c2C(=O)N1CCC(=O)[O-]	ZINC000071681654	176245473	/nfs/dbraw/zinc/24/54/73/176245473.db2.gz	DVWDVBHRMGUDSP-SECBINFHSA-N	-1	2	299.113	2.489	10	30		CEEELM
N#CC1c2cc(Cl)cc(Cl)c2C(=O)N1CCC(=O)[O-]	ZINC000071681654	176245474	/nfs/dbraw/zinc/24/54/74/176245474.db2.gz	DVWDVBHRMGUDSP-SECBINFHSA-N	-1	2	299.113	2.489	10	30		CEEELM
C[C@H](C(=O)[O-])N1C(=O)c2c(c(Cl)ccc2Cl)C1C#N	ZINC000071681436	176245607	/nfs/dbraw/zinc/24/56/07/176245607.db2.gz	DHJCYKPBVYERDL-SVGQVSJJSA-N	-1	2	299.113	2.487	10	30		CEEELM
C[C@H](C(=O)[O-])N1C(=O)c2c(c(Cl)ccc2Cl)[C@H]1C#N	ZINC000071681436	176245609	/nfs/dbraw/zinc/24/56/09/176245609.db2.gz	DHJCYKPBVYERDL-SVGQVSJJSA-N	-1	2	299.113	2.487	10	30		CEEELM
O=[N+]([O-])c1cc(/C(Cc2ccccc2)=N\[O-])cc(O)c1O	ZINC000027754165	361658836	/nfs/dbraw/zinc/65/88/36/361658836.db2.gz	CEADUYGFUNVTQB-PTNGSMBKSA-N	-1	2	288.259	2.427	10	30		CEEELM
O=C([O-])C(=O)C=C(O)c1cccn1Cc1ccc(F)cc1	ZINC000003923667	581102277	/nfs/dbraw/zinc/10/22/77/581102277.db2.gz	UEQYRLJGCMWLDP-JYRVWZFOSA-N	-1	2	289.262	2.228	10	30		CEEELM
[O-]N=C1CCC(=NO)c2nn(-c3ccccc3Cl)nc21	ZINC000254500785	371537361	/nfs/dbraw/zinc/53/73/61/371537361.db2.gz	KRDVRYMOSKBVHE-UHFFFAOYSA-N	-1	2	291.698	2.071	10	30		CEEELM
N#CC1c2c(c(Cl)ccc2Cl)C(=O)N1CC(=O)[O-]	ZINC000071681412	176245444	/nfs/dbraw/zinc/24/54/44/176245444.db2.gz	OBVVEEFOYJLYFE-ZETCQYMHSA-N	-1	2	285.086	2.098	10	30		CEEELM
N#C[C@H]1c2c(c(Cl)ccc2Cl)C(=O)N1CC(=O)[O-]	ZINC000071681412	176245445	/nfs/dbraw/zinc/24/54/45/176245445.db2.gz	OBVVEEFOYJLYFE-ZETCQYMHSA-N	-1	2	285.086	2.098	10	30		CEEELM
C[C@H](C(=O)[O-])N1C(=O)c2c(cc(Cl)cc2Cl)[C@H]1C#N	ZINC000071681648	176245676	/nfs/dbraw/zinc/24/56/76/176245676.db2.gz	TUIFZGGKEDNIAO-MLUIRONXSA-N	-1	2	299.113	2.487	10	30		CEEELM
C[C@H](C(=O)[O-])N1C(=O)c2c(cc(Cl)cc2Cl)C1C#N	ZINC000071681648	176245678	/nfs/dbraw/zinc/24/56/78/176245678.db2.gz	TUIFZGGKEDNIAO-MLUIRONXSA-N	-1	2	299.113	2.487	10	30		CEEELM
N#CC1c2c(c(Cl)ccc2Cl)C(=O)N1CC(=O)[O-]	ZINC000071681414	176245322	/nfs/dbraw/zinc/24/53/22/176245322.db2.gz	OBVVEEFOYJLYFE-SSDOTTSWSA-N	-1	2	285.086	2.098	10	30		CEEELM
N#C[C@@H]1c2c(c(Cl)ccc2Cl)C(=O)N1CC(=O)[O-]	ZINC000071681414	176245323	/nfs/dbraw/zinc/24/53/23/176245323.db2.gz	OBVVEEFOYJLYFE-SSDOTTSWSA-N	-1	2	285.086	2.098	10	30		CEEELM
C[C@@H](C(=O)[O-])N1C(=O)c2c(cc(Cl)cc2Cl)[C@@H]1C#N	ZINC000071681649	176245488	/nfs/dbraw/zinc/24/54/88/176245488.db2.gz	TUIFZGGKEDNIAO-CDUCUWFYSA-N	-1	2	299.113	2.487	10	30		CEEELM
C[C@@H](C(=O)[O-])N1C(=O)c2c(cc(Cl)cc2Cl)C1C#N	ZINC000071681649	176245489	/nfs/dbraw/zinc/24/54/89/176245489.db2.gz	TUIFZGGKEDNIAO-CDUCUWFYSA-N	-1	2	299.113	2.487	10	30		CEEELM
C[C@@H](C(=O)[O-])N1C(=O)c2c(cc(Cl)cc2Cl)[C@H]1C#N	ZINC000071681646	176245222	/nfs/dbraw/zinc/24/52/22/176245222.db2.gz	TUIFZGGKEDNIAO-SSDLBLMSSA-N	-1	2	299.113	2.487	10	30		CEEELM
C[C@@H](C(=O)[O-])N1C(=O)c2c(cc(Cl)cc2Cl)C1C#N	ZINC000071681646	176245223	/nfs/dbraw/zinc/24/52/23/176245223.db2.gz	TUIFZGGKEDNIAO-SSDLBLMSSA-N	-1	2	299.113	2.487	10	30		CEEELM