smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[N@@H+](Cc1ccc(F)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043123172	568880539	/nfs/dbraw/zinc/88/05/39/568880539.db2.gz	DYIUIAJZZHPMBD-OAQYLSRUSA-N	1	1	402.420	3.271	10	30		HGEEMO
C=CC[N@@H+](Cc1ccc(F)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043123173	568880626	/nfs/dbraw/zinc/88/06/26/568880626.db2.gz	DYIUIAJZZHPMBD-NRFANRHFSA-N	1	1	402.420	3.271	10	30		HGEEMO
C=CC[N@H+](Cc1ccccc1F)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043014896	568880620	/nfs/dbraw/zinc/88/06/20/568880620.db2.gz	KYEYNJPZPOQCKF-OAQYLSRUSA-N	1	1	402.420	3.271	10	30		HGEEMO
C=CC[N@@H+](Cc1ccccc1F)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043014896	568880621	/nfs/dbraw/zinc/88/06/21/568880621.db2.gz	KYEYNJPZPOQCKF-OAQYLSRUSA-N	1	1	402.420	3.271	10	30		HGEEMO
C=CCC[C@@H](O)C[N@@H+](CC)Cc1nc(=O)c2c(C)c(C(=O)OC(C)C)sc2[nH]1	ZINC000036207424	518713179	/nfs/dbraw/zinc/71/31/79/518713179.db2.gz	OBPVZNQVEAGOBC-CQSZACIVSA-N	1	1	407.536	3.007	10	30		HGEEMO
C=CCC[C@@H](O)C[N@H+](CC)Cc1nc(=O)c2c(C)c(C(=O)OC(C)C)sc2[nH]1	ZINC000036207424	518713187	/nfs/dbraw/zinc/71/31/87/518713187.db2.gz	OBPVZNQVEAGOBC-CQSZACIVSA-N	1	1	407.536	3.007	10	30		HGEEMO
C=CC[N@@H+](Cc1cccc(F)c1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043015852	568880557	/nfs/dbraw/zinc/88/05/57/568880557.db2.gz	HVGVWTUVQVPWKH-OAQYLSRUSA-N	1	1	402.420	3.271	10	30		HGEEMO
CC(=O)c1ccccc1OCCO/[NH+]=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000023714529	518476424	/nfs/dbraw/zinc/47/64/24/518476424.db2.gz	TZFBZAHIZVTVSX-PXLXIMEGSA-N	1	1	413.430	3.064	10	30		HGEEMO
CC(C)C12CN3CC(C[N@@H+](C1)CC3)/C2=N\NC(=S)Nc1ccc(F)c(Cl)c1	ZINC000103548770	559156238	/nfs/dbraw/zinc/15/62/38/559156238.db2.gz	NOCZVQNYLSWQOW-HAVVHWLPSA-N	1	1	409.962	3.025	10	30		HGEEMO
C=CC[N@H+](Cc1ccccc1F)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043014899	518785789	/nfs/dbraw/zinc/78/57/89/518785789.db2.gz	KYEYNJPZPOQCKF-NRFANRHFSA-N	1	1	402.420	3.271	10	30		HGEEMO
C=CC[N@@H+](Cc1ccccc1F)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043014899	518785795	/nfs/dbraw/zinc/78/57/95/518785795.db2.gz	KYEYNJPZPOQCKF-NRFANRHFSA-N	1	1	402.420	3.271	10	30		HGEEMO
C=CC[N@H+](C[C@H](O)COCc1ccco1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000036146669	518777231	/nfs/dbraw/zinc/77/72/31/518777231.db2.gz	IRDYYLGWCOZCJM-AZUAARDMSA-N	1	1	404.894	3.492	10	30		HGEEMO
C=CCC[C@H](O)C[N@@H+](CC)Cc1nc(=O)c2c(C)c(C(=O)OC(C)C)sc2[nH]1	ZINC000036207425	518723079	/nfs/dbraw/zinc/72/30/79/518723079.db2.gz	OBPVZNQVEAGOBC-AWEZNQCLSA-N	1	1	407.536	3.007	10	30		HGEEMO
C=CCC[C@H](O)C[N@H+](CC)Cc1nc(=O)c2c(C)c(C(=O)OC(C)C)sc2[nH]1	ZINC000036207425	518723087	/nfs/dbraw/zinc/72/30/87/518723087.db2.gz	OBPVZNQVEAGOBC-AWEZNQCLSA-N	1	1	407.536	3.007	10	30		HGEEMO
C=CC[N@H+](C[C@H](O)COCc1ccco1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000036146668	518777170	/nfs/dbraw/zinc/77/71/70/518777170.db2.gz	IRDYYLGWCOZCJM-ICSRJNTNSA-N	1	1	404.894	3.492	10	30		HGEEMO
C=CC[N@@H+](Cc1cccc(F)c1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043015856	568880606	/nfs/dbraw/zinc/88/06/06/568880606.db2.gz	HVGVWTUVQVPWKH-NRFANRHFSA-N	1	1	402.420	3.271	10	30		HGEEMO
C=CCn1c(SCc2ccccc2C(=O)N2CC[NH+](C)CC2)nnc1-c1ccco1	ZINC000096289617	568719873	/nfs/dbraw/zinc/71/98/73/568719873.db2.gz	QEORXXJWCWHSKH-UHFFFAOYSA-N	1	1	423.542	3.404	10	30		HGEEMO