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(=N/NC(N)=S)c1ccc(Nc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)cc1	ZINC000004046038	194372163	/nfs/dbraw/zinc/37/21/63/194372163.db2.gz	SJRJXKOCFMVACP-WGARJPEWSA-N	1	2	457.564	0.846	50	30		JCEALO
C[C@H](C(=O)Nc1ccc(C#N)cc1)[N@@H+](C)CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000013130590	556355769	/nfs/dbraw/zinc/35/57/69/556355769.db2.gz	CMCMKPKFOTVXHA-MRXNPFEDSA-N	1	2	489.536	0.961	50	30		JCEALO
C[C@H](C(=O)Nc1ccc(C#N)cc1)[N@H+](C)CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000013130590	556355763	/nfs/dbraw/zinc/35/57/63/556355763.db2.gz	CMCMKPKFOTVXHA-MRXNPFEDSA-N	1	2	489.536	0.961	50	30		JCEALO
C[C@@H](C(=O)Nc1ccc(C#N)cc1)[N@@H+](C)CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000013130592	556355861	/nfs/dbraw/zinc/35/58/61/556355861.db2.gz	CMCMKPKFOTVXHA-INIZCTEOSA-N	1	2	489.536	0.961	50	30		JCEALO
C[C@@H](C(=O)Nc1ccc(C#N)cc1)[N@H+](C)CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000013130592	556355858	/nfs/dbraw/zinc/35/58/58/556355858.db2.gz	CMCMKPKFOTVXHA-INIZCTEOSA-N	1	2	489.536	0.961	50	30		JCEALO
CC(N=Nc1nncn1N)c1ccc(Nc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)cc1	ZINC000013549175	555490794	/nfs/dbraw/zinc/49/07/94/555490794.db2.gz	IKGJGIGNVBFGAX-RWPZCVJISA-N	1	2	480.537	0.430	50	30		JCEALO
Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)CN2CC[NH+](CC(=O)N3CCOCC3)CC2)c1C#N	ZINC000022805552	525683759	/nfs/dbraw/zinc/68/37/59/525683759.db2.gz	BKHPVTZNCKGJCK-FQEVSTJZSA-N	1	2	472.590	0.571	50	30		JCEALO
Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)CN2CC[NH+](CC(=O)N3CCOCC3)CC2)c1C#N	ZINC000022805561	525682674	/nfs/dbraw/zinc/68/26/74/525682674.db2.gz	BKHPVTZNCKGJCK-HXUWFJFHSA-N	1	2	472.590	0.571	50	30		JCEALO
N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)CC2)cc1	ZINC000024832151	556158395	/nfs/dbraw/zinc/15/83/95/556158395.db2.gz	RWJPWMZOYUWLDP-UHFFFAOYSA-N	1	2	467.551	0.637	50	30		JCEALO
CC(=C1C(=O)c2ccccc2C1=O)N1CC[NH+](CCNC=C2C(=O)N(C)C(=O)N(C)C2=O)CC1	ZINC000101728924	569803478	/nfs/dbraw/zinc/80/34/78/569803478.db2.gz	HMLZZVRTHJMYLK-UHFFFAOYSA-N	1	2	465.510	0.481	50	30		JCEALO
Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@H]1C[C@@H](OS(=O)(=O)c2c(C)nn(C)c2C)C[N@H+]1C	ZINC000253425210	570098774	/nfs/dbraw/zinc/09/87/74/570098774.db2.gz	BKONLWWOCWAXBA-JKSUJKDBSA-N	1	2	474.609	0.144	50	30		JCEALO
Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@H]1C[C@@H](OS(=O)(=O)c2c(C)nn(C)c2C)C[N@@H+]1C	ZINC000253425210	570098772	/nfs/dbraw/zinc/09/87/72/570098772.db2.gz	BKONLWWOCWAXBA-JKSUJKDBSA-N	1	2	474.609	0.144	50	30		JCEALO
C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)CCC(=O)NCC2)CC1	ZINC000257185957	1067961993	/nfs/dbraw/zinc/96/19/93/1067961993.db2.gz	YBZPPEASWSORHW-GOSISDBHSA-N	1	2	466.608	0.047	50	30		JCEALO
C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)CCC(=O)NCC2)CC1	ZINC000257185959	1067961945	/nfs/dbraw/zinc/96/19/45/1067961945.db2.gz	YBZPPEASWSORHW-SFHVURJKSA-N	1	2	466.608	0.047	50	30		JCEALO
CC(C)[C@H]1NC(=O)CCNc2cc([nH+]c(NCc3cc(C4CC4)n[nH]3)n2)CCNC(=O)[C@H](C)NC1=O	ZINC000952856390	1068224930	/nfs/dbraw/zinc/22/49/30/1068224930.db2.gz	BKIZOYNPPGTMLD-LHSJRXKWSA-N	1	2	497.604	0.174	50	30		JCEALO
Cc1ccc(CCNc2nc3cc([nH+]2)CCNC(=O)[C@H](C)NC(=O)[C@@H](C(C)C)NC(=O)CCN3)o1	ZINC000952857559	1068225455	/nfs/dbraw/zinc/22/54/55/1068225455.db2.gz	XIQBIYOFIFDGJE-HRAATJIYSA-N	1	2	485.589	0.517	50	30		JCEALO