smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@@H+](Cc1cc(O)cc(F)c1)C[C@H](C)C#N	ZINC000186190992	387074253	/nfs/dbraw/zinc/07/42/53/387074253.db2.gz	JLKICKOZCJMULC-SNVBAGLBSA-N	-1	2	236.290	2.513	20	30		BFEDLM
CC[N@@H+](Cc1ccc(O)c(F)c1)C[C@@H](C)C#N	ZINC000891715598	582713067	/nfs/dbraw/zinc/71/30/67/582713067.db2.gz	GAZJEBZTFWVRBA-JTQLQIEISA-N	-1	2	236.290	2.513	20	30		BFEDLM
CC[N@@H+](Cc1ccc(O)c(F)c1)C[C@H](C)C#N	ZINC000891715599	582713185	/nfs/dbraw/zinc/71/31/85/582713185.db2.gz	GAZJEBZTFWVRBA-SNVBAGLBSA-N	-1	2	236.290	2.513	20	30		BFEDLM
Oc1ccccc1/C=[NH+]/CCCC1(O)CCC1	ZINC000817706962	586818540	/nfs/dbraw/zinc/81/85/40/586818540.db2.gz	GQCXEVHQVWZVOP-RVDMUPIBSA-N	-1	2	233.311	2.506	20	30		BFEDLM
CSC1(C/[NH+]=C/c2ccccc2O)CC1	ZINC000193256817	347393849	/nfs/dbraw/zinc/39/38/49/347393849.db2.gz	NIKAPIGXSYSHOP-MDWZMJQESA-N	-1	2	221.325	2.707	20	30		BFEDLM
CCCC[N@@H+](CC#N)Cc1ccccc1O	ZINC000282392472	385757938	/nfs/dbraw/zinc/75/79/38/385757938.db2.gz	GZAIJMSEKMQVOA-UHFFFAOYSA-N	-1	2	218.300	2.518	20	30		BFEDLM
C#CC[N@H+](Cc1ccc(F)c(F)c1O)C(C)C	ZINC000897171282	583889195	/nfs/dbraw/zinc/88/91/95/583889195.db2.gz	UWQHHUXEXBTNBD-UHFFFAOYSA-N	-1	2	239.265	2.514	20	30		BFEDLM
C=CC[N@@H+](C)Cc1cc(Cl)cc(F)c1O	ZINC000779188381	585746785	/nfs/dbraw/zinc/74/67/85/585746785.db2.gz	MRIZKKSWMDDHMW-UHFFFAOYSA-N	-1	2	229.682	2.803	20	30		BFEDLM
C#Cc1cc(Nc2cccc(O)c2Cl)cc[nH+]1	ZINC001210844906	957914193	/nfs/dbraw/zinc/91/41/93/957914193.db2.gz	RHCPSUGKVOIVJR-UHFFFAOYSA-N	-1	2	244.681	2.587	20	30		BFEDLM
C#CC[N@H+](Cc1cccc(Cl)c1O)C(C)C	ZINC000897171200	583889430	/nfs/dbraw/zinc/88/94/30/583889430.db2.gz	SHSWXNCICYJUKL-UHFFFAOYSA-N	-1	2	237.730	2.889	20	30		BFEDLM
CCCC(CC)=NNc1cnnc(O)c1Cl	ZINC000776186119	585692269	/nfs/dbraw/zinc/69/22/69/585692269.db2.gz	RGMMNVWOAIFROL-UHFFFAOYSA-N	-1	2	242.710	2.814	20	30		BFEDLM
CC[C@@H]1C[C@H](/[NH+]=C\c2ccccc2O)CCO1	ZINC000817706584	586818700	/nfs/dbraw/zinc/81/87/00/586818700.db2.gz	CVGSJHRXLPDTCF-WHJZCPEBSA-N	-1	2	233.311	2.769	20	30		BFEDLM
C[C@@H](C#N)C[N@H+](C)Cc1cc(O)cc(Cl)c1	ZINC000891716536	582712871	/nfs/dbraw/zinc/71/28/71/582712871.db2.gz	ROZPHCNKDHQDQI-VIFPVBQESA-N	-1	2	238.718	2.637	20	30		BFEDLM
CC[C@@H]1C[C@H](/[NH+]=C/c2ccccc2O)CCO1	ZINC000817706585	586818435	/nfs/dbraw/zinc/81/84/35/586818435.db2.gz	CVGSJHRXLPDTCF-WYMRFSOBSA-N	-1	2	233.311	2.769	20	30		BFEDLM
CC[C@@H]1C[C@@H](/[NH+]=C\c2ccccc2O)CCO1	ZINC000817706583	586818876	/nfs/dbraw/zinc/81/88/76/586818876.db2.gz	CVGSJHRXLPDTCF-VJQRRLSASA-N	-1	2	233.311	2.769	20	30		BFEDLM
Cc1ccc(C[N@@H+](CC#N)C2CCCC2)c(O)c1	ZINC000876754229	590238121	/nfs/dbraw/zinc/23/81/21/590238121.db2.gz	CZXZGCWPPPQIEO-UHFFFAOYSA-N	-1	2	244.338	2.969	20	30		BFEDLM
C=CC[N@@H+](C)Cc1cc(F)c(O)c(Cl)c1	ZINC001237997769	980122907	/nfs/dbraw/zinc/12/29/07/980122907.db2.gz	OWNMYSGQSWUOMV-UHFFFAOYSA-N	-1	2	229.682	2.803	20	30		BFEDLM
CSC(C)(C)C/[NH+]=C/c1ccccc1O	ZINC000174445852	384790621	/nfs/dbraw/zinc/79/06/21/384790621.db2.gz	WOXUIYGBPQWLJO-MDWZMJQESA-N	-1	2	223.341	2.953	20	30		BFEDLM
CC[N@@H+](Cc1cc(O)cc(F)c1)C[C@@H](C)C#N	ZINC000186190968	387075052	/nfs/dbraw/zinc/07/50/52/387075052.db2.gz	JLKICKOZCJMULC-JTQLQIEISA-N	-1	2	236.290	2.513	20	30		BFEDLM
C[C@H](C#N)C[N@H+](C)Cc1cc(O)cc(Cl)c1	ZINC000891716535	582713523	/nfs/dbraw/zinc/71/35/23/582713523.db2.gz	ROZPHCNKDHQDQI-SECBINFHSA-N	-1	2	238.718	2.637	20	30		BFEDLM
Oc1ccccc1/C=[NH+]\CCCC1(O)CCC1	ZINC000817706961	586818570	/nfs/dbraw/zinc/81/85/70/586818570.db2.gz	GQCXEVHQVWZVOP-PTNGSMBKSA-N	-1	2	233.311	2.506	20	30		BFEDLM
CCC(C)(C)C/[NH+]=C/c1ccc(O)c(O)c1O	ZINC000192398407	136275768	/nfs/dbraw/zinc/27/57/68/136275768.db2.gz	ABJKJSLCOPHYIK-VGOFMYFVSA-N	-1	2	237.299	2.659	20	30		BFEDLM
CC[C@@H]1C[C@@H](/[NH+]=C/c2ccccc2O)CCO1	ZINC000817706582	586818458	/nfs/dbraw/zinc/81/84/58/586818458.db2.gz	CVGSJHRXLPDTCF-KWXXWNBCSA-N	-1	2	233.311	2.769	20	30		BFEDLM
C=C(C)C[N@@H+](C)Cc1ccc(O)c(F)c1F	ZINC001308871567	991180023	/nfs/dbraw/zinc/18/00/23/991180023.db2.gz	DEYKRCRDCCNGPS-UHFFFAOYSA-N	-1	2	227.254	2.678	20	30		BFEDLM