smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1cccnc1N1CC[NH+](CCNC(=O)c2ccc(F)cc2)CC1	ZINC000064527248	136133342	/nfs/dbraw/zinc/13/33/42/136133342.db2.gz	DJWRUQHQYQAMBK-UHFFFAOYSA-N	1	2	353.401	1.644	1	30		FDEFLO
COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC[C@H]3[NH+]2CCCC2)C1=O	ZINC000169324031	206251103	/nfs/dbraw/zinc/25/11/03/206251103.db2.gz	DOOJZAOLCJZCKJ-GFCCVEGCSA-N	1	2	373.409	1.923	1	30		FDEFLO
COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)[N@H+](CCC#N)CC[C@]314	ZINC000169335609	206252667	/nfs/dbraw/zinc/25/26/67/206252667.db2.gz	AKLPGNGGYMFTLZ-XFWGSAIBSA-N	1	2	354.406	1.332	1	30		FDEFLO
COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)[N@@H+](CCC#N)CC[C@]314	ZINC000169335609	206252672	/nfs/dbraw/zinc/25/26/72/206252672.db2.gz	AKLPGNGGYMFTLZ-XFWGSAIBSA-N	1	2	354.406	1.332	1	30		FDEFLO
C[C@]([NH3+])(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO	ZINC000026643766	581095832	/nfs/dbraw/zinc/09/58/32/581095832.db2.gz	XIOQDQAMCAXVAV-INIZCTEOSA-N	1	2	350.396	1.475	1	30		FDEFLO
Cc1ccnc(C(N)=NNC(=S)N2CCN(c3cccc[nH+]3)CC2)c1	ZINC000103237877	132237291	/nfs/dbraw/zinc/23/72/91/132237291.db2.gz	XOLMYLHJYBRAJB-UHFFFAOYSA-N	1	2	355.471	1.102	1	30		FDEFLO
NC(=[NH2+])NC(=O)c1nc(Cl)c(NCc2ccc(Cl)cc2)nc1N	ZINC000040879308	208272001	/nfs/dbraw/zinc/27/20/01/208272001.db2.gz	OEIUNYMQYHWPHJ-UHFFFAOYSA-N	1	2	354.201	1.391	1	30		FDEFLO
CN(C)c1ccc(/C=[NH+]\N(CCO)C2=NS(=O)(=O)c3ccccc32)cc1	ZINC000013139951	211025833	/nfs/dbraw/zinc/02/58/33/211025833.db2.gz	DSPHSNAKFZMIGD-UYRXBGFRSA-N	1	2	372.450	1.530	1	30		FDEFLO
O=C(NO)c1cnc(N2C[C@H]3[C@@H](C2)[C@@H]3Nc2ccc3ccccc3[nH+]2)nc1	ZINC000101929266	222287420	/nfs/dbraw/zinc/28/74/20/222287420.db2.gz	ZHYWBQIDWBAPRN-HALDLXJZSA-N	1	2	362.393	1.691	1	30		FDEFLO
O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NO)c1ccc(C#Cc2ccccc2)cc1	ZINC000096909797	222138117	/nfs/dbraw/zinc/13/81/17/222138117.db2.gz	VIRLRFHANVSLSV-IBGZPJMESA-N	1	2	374.400	1.656	1	30		FDEFLO
O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NO)c1ccc(C#Cc2ccccc2)cc1	ZINC000096909797	222138120	/nfs/dbraw/zinc/13/81/20/222138120.db2.gz	VIRLRFHANVSLSV-IBGZPJMESA-N	1	2	374.400	1.656	1	30		FDEFLO
CC(=NNC(N)=[NH2+])c1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12	ZINC000049709815	221027050	/nfs/dbraw/zinc/02/70/50/221027050.db2.gz	DREHREYVGWNGON-SRZZPIQSSA-N	1	2	370.438	1.458	1	30		FDEFLO
COCCNc1nc2ccc(C#CC(C)(C)O)cc2n1-c1cc[nH+]c(N)n1	ZINC000103249612	222328790	/nfs/dbraw/zinc/32/87/90/222328790.db2.gz	ZGLIZEYZNJYHGX-UHFFFAOYSA-N	1	2	366.425	1.578	1	30		FDEFLO
CC[NH+](CC)CN1C(=O)/C(=N\NC(=S)NOC)c2cc(Cl)ccc21	ZINC000066079657	205362376	/nfs/dbraw/zinc/36/23/76/205362376.db2.gz	PFTVRQJLUYXZOL-LGMDPLHJSA-N	1	2	369.878	1.716	1	30		FDEFLO
O=C1c2c(O)ccc(O)c2C(=O)C(NCCC[NH+]2CCOCC2)=C1Cl	ZINC000102956988	222314722	/nfs/dbraw/zinc/31/47/22/222314722.db2.gz	JDQQDOBAFLCUBI-UHFFFAOYSA-N	1	2	366.801	1.239	1	30		FDEFLO
C[C@H]1CN1C1=CC(=O)c2c(cc(C(=O)NCC[NH+]3CCCCC3)n2C)C1=O	ZINC000013557509	211039605	/nfs/dbraw/zinc/03/96/05/211039605.db2.gz	IYJKKFHZAPQMAW-LNHXHEARSA-N	1	2	370.453	1.208	1	30		FDEFLO
C[C@@]([NH3+])(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO	ZINC000026643760	581095798	/nfs/dbraw/zinc/09/57/98/581095798.db2.gz	XIOQDQAMCAXVAV-MRXNPFEDSA-N	1	2	350.396	1.475	1	30		FDEFLO
CC(=O)C(=NNc1ccc2c(=O)cc(C)oc2c1)N1CC[NH+](CCO)CC1	ZINC000103005561	222317759	/nfs/dbraw/zinc/31/77/59/222317759.db2.gz	LLMAJIJFBKGPOS-VZCXRCSSSA-N	1	2	372.425	1.026	1	30		FDEFLO