smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCN(C(=O)/C(C#N)=c2/s/c(=C\c3ccc(OC(F)F)cc3)c(=O)n2-c2ccccc2)CC1	ZINC000096400383	553753724	/nfs/dbraw/zinc/75/37/24/553753724.db2.gz	UICFQEOJRQOBMB-JAQJGPGCSA-N	1	1	510.566	2.168	40	30		KEEBMO
CC[NH+]1CCN(C(=O)/C(C#N)=c2\s/c(=C/c3ccc(OC(F)F)cc3)c(=O)n2-c2ccccc2)CC1	ZINC000097993582	554031270	/nfs/dbraw/zinc/03/12/70/554031270.db2.gz	UICFQEOJRQOBMB-XONZCVNRSA-N	1	1	510.566	2.168	40	30		KEEBMO
CC(=O)Nc1ccc(/C=N/NC(=S)NCCC[NH+]2CCN(CCCNC(=S)N/N=C\c3ccc(NC(C)=O)cc3)CC2)cc1	ZINC000104064445	571372092	/nfs/dbraw/zinc/37/20/92/571372092.db2.gz	YIJLECZILADZFW-NRYMNODQSA-N	1	1	638.868	2.297	40	30		KEEBMO
C=CCOc1ccc(CC2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)N(C)C(=O)N(C)C2=O)cc1	ZINC000169660127	571554656	/nfs/dbraw/zinc/55/46/56/571554656.db2.gz	NIGRPUQKLBRZCR-LEWJYISDSA-N	1	1	504.587	2.112	40	30		KEEBMO
CC[C@H](C)[C@H]([NH3+])C(=O)[C@@](C=O)([C@H](C(=O)OCc1ccccc1)C(C)C)N(C(=O)[C@H](C)N)C(=O)[C@@H](N)CCC(=O)OC(C)(C)C	ZINC000299754563	572134307	/nfs/dbraw/zinc/13/43/07/572134307.db2.gz	RENXKPLWNNMCST-HIHYEESJSA-N	1	1	618.772	2.034	40	30		KEEBMO
CC[C@H](C)[C@H]([NH3+])C(=O)[C@@](C=O)([C@@H](C(=O)OCc1ccccc1)C(C)C)N(C(=O)[C@H](C)N)C(=O)[C@@H](N)CCC(=O)OC(C)(C)C	ZINC000299754564	572134158	/nfs/dbraw/zinc/13/41/58/572134158.db2.gz	RENXKPLWNNMCST-WNNFODHDSA-N	1	1	618.772	2.034	40	30		KEEBMO
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N[NH+]=Cc1cc([N+](=O)[O-])ccc1N(C)C	ZINC000408943439	1066392996	/nfs/dbraw/zinc/39/29/96/1066392996.db2.gz	FSVFKRQNWNUPQS-CZYGPWSVSA-N	1	1	556.576	2.181	40	30		KEEBMO
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N[NH+]=Cc1cc([N+](=O)[O-])ccc1N(C)C	ZINC000408943445	1066393335	/nfs/dbraw/zinc/39/33/35/1066393335.db2.gz	FSVFKRQNWNUPQS-GSJUJJHQSA-N	1	1	556.576	2.181	40	30		KEEBMO
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N[NH+]=Cc1cc([N+](=O)[O-])ccc1N(C)C	ZINC000408943447	1066393129	/nfs/dbraw/zinc/39/31/29/1066393129.db2.gz	FSVFKRQNWNUPQS-YNMPAXSUSA-N	1	1	556.576	2.181	40	30		KEEBMO
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N[NH+]=Cc1cc([N+](=O)[O-])ccc1N(C)C	ZINC000408943451	1066209973	/nfs/dbraw/zinc/20/99/73/1066209973.db2.gz	FSVFKRQNWNUPQS-ZOLLBZJMSA-N	1	1	556.576	2.181	40	30		KEEBMO
C=CC[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)CCC(OCCOCCOCCOCCOCCOCCOCCOC)[C@@H]3O5	ZINC001560406227	1066437350	/nfs/dbraw/zinc/43/73/50/1066437350.db2.gz	SSIJAODRLUYUAE-ODRDEDCPSA-N	1	1	650.786	2.027	40	30		KEEBMO