smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C(C)C)C(=O)[O-]	ZINC000026832490	561823207	/nfs/dbraw/zinc/82/32/07/561823207.db2.gz	HZEHMWRXUWRPDI-RJGXRXQPSA-N	-1	1	522.111	3.683	1	10		KHCFMM
CCCCCOc1c(OC)cc(N(C)CCCNC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c2nccc(CC)c21	ZINC000028641960	561943350	/nfs/dbraw/zinc/94/33/50/561943350.db2.gz	VYBXLZGJPAMDEN-NRFANRHFSA-N	-1	1	540.665	3.919	1	10		KHCFMM
CCCCCOc1c(OC)cc(N(C)CCCNC(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c2nccc(CC)c21	ZINC000028642143	561943524	/nfs/dbraw/zinc/94/35/24/561943524.db2.gz	VYBXLZGJPAMDEN-OAQYLSRUSA-N	-1	1	540.665	3.919	1	10		KHCFMM
C[C@@H]1CN(c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C(=O)c3ccc[n+]([O-])c3)cc2)C[C@H](C)O1	ZINC000034444619	562038974	/nfs/dbraw/zinc/03/89/74/562038974.db2.gz	LSOFGLZAFFQZGB-CALCHBBNSA-N	-1	1	501.992	3.619	1	10		KHCFMM
Cc1cc(O)c2cc3c(c([O-])c2c1)C(=O)c1ccc([C@H]2C[C@@H](O[C@@H]4CC[C@@H](O)[C@@H](C)O4)[C@H](O)[C@@H](C)O2)c(O)c1C3=O	ZINC000044281609	562653179	/nfs/dbraw/zinc/65/31/79/562653179.db2.gz	QNOJERQXICDFKV-HDPGPSQBSA-N	-1	1	564.587	3.522	1	10		KHCFMM
CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4cc(CC=C(C)C)c([O-])c(CN(C)C(=O)CCC[NH+](C)C)c4)c(=O)oc3c2C)OC1(C)C	ZINC000095539474	562755051	/nfs/dbraw/zinc/75/50/51/562755051.db2.gz	JMQCSPOOUQDYJB-ZNHXKFHXSA-N	-1	1	768.861	3.927	1	10		KHCFMM
C[C@@H]1[C@H](N2C(=O)CS[C@H]2c2cc(I)cc(I)c2[O-])C(=O)N(c2ccccc2)N1C	ZINC000095565952	562764759	/nfs/dbraw/zinc/76/47/59/562764759.db2.gz	XWWGXHQJCMDIGQ-MSIBFWPZSA-N	-1	1	635.265	3.826	1	10		KHCFMM
C[C@@H]1[C@@H](N2C(=O)CS[C@H]2c2cc(I)cc(I)c2[O-])C(=O)N(c2ccccc2)N1C	ZINC000095565954	562764763	/nfs/dbraw/zinc/76/47/63/562764763.db2.gz	XWWGXHQJCMDIGQ-JSZUHDFRSA-N	-1	1	635.265	3.826	1	10		KHCFMM
O=C1[N-]C(=S)S/C1=C/c1nc2ccc(I)cc2c(=O)n1-c1ccc(F)cc1	ZINC000103177745	562815132	/nfs/dbraw/zinc/81/51/32/562815132.db2.gz	AESJAWXHAOARAS-RIYZIHGNSA-N	-1	1	509.325	3.618	1	10		KHCFMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc2cc(Cl)c(Cl)cc2oc1=O	ZINC000103186051	562815430	/nfs/dbraw/zinc/81/54/30/562815430.db2.gz	JEPNQDQPHCWEOD-UHFFFAOYSA-N	-1	1	511.346	3.867	1	10		KHCFMM
O=C1[N-]C(=S)NC(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc2cc(Cl)c(Cl)cc2oc1=O	ZINC000103186051	562815429	/nfs/dbraw/zinc/81/54/29/562815429.db2.gz	JEPNQDQPHCWEOD-UHFFFAOYSA-N	-1	1	511.346	3.867	1	10		KHCFMM
O=C1[N-]C(=S)NC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc2cc(Cl)c(Cl)cc2oc1=O	ZINC000103186051	562815428	/nfs/dbraw/zinc/81/54/28/562815428.db2.gz	JEPNQDQPHCWEOD-UHFFFAOYSA-N	-1	1	511.346	3.867	1	10		KHCFMM
C[C@@H]1CN(c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C(=O)c3cc[n+]([O-])cc3)cc2)C[C@H](C)O1	ZINC000113625165	562826648	/nfs/dbraw/zinc/82/66/48/562826648.db2.gz	ZSDNOIYOFIDITJ-CALCHBBNSA-N	-1	1	501.992	3.619	1	10		KHCFMM
C[C@@H]1CN(c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C(=O)c3cc[n+]([O-])cc3)cc2F)C[C@H](C)O1	ZINC000113625835	562826658	/nfs/dbraw/zinc/82/66/58/562826658.db2.gz	DIJHIJMLWZYVAL-IYBDPMFKSA-N	-1	1	519.982	3.758	1	10		KHCFMM
Cc1ccc(C(=O)c2cc(Cl)ccc2[N-]S(=O)(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)c[n+]1[O-]	ZINC000166290063	562850382	/nfs/dbraw/zinc/85/03/82/562850382.db2.gz	VFMJIJSFZSUUSI-HDICACEKSA-N	-1	1	516.019	3.927	1	10		KHCFMM
C[C@@H]1[C@@H](N2C(=O)CS[C@@H]2c2cc(I)cc(I)c2[O-])C(=O)N(c2ccccc2)N1C	ZINC000169293120	562852060	/nfs/dbraw/zinc/85/20/60/562852060.db2.gz	XWWGXHQJCMDIGQ-CZYCVGMRSA-N	-1	1	635.265	3.826	1	10		KHCFMM
C[C@@H]1[C@H](N2C(=O)CS[C@@H]2c2cc(I)cc(I)c2[O-])C(=O)N(c2ccccc2)N1C	ZINC000169293122	562852067	/nfs/dbraw/zinc/85/20/67/562852067.db2.gz	XWWGXHQJCMDIGQ-CGQHOMIXSA-N	-1	1	635.265	3.826	1	10		KHCFMM
COC(=O)CN[P@](=O)(Oc1ccccc1)Oc1cc(=O)c2c([O-])cc(-c3ccc(O)c(O)c3)oc-2c1	ZINC000653710262	562908155	/nfs/dbraw/zinc/90/81/55/562908155.db2.gz	JPHNDPGNNDIYNI-BHVANESWSA-N	-1	1	513.395	3.905	1	10		KHCFMM
COC(=O)CN[P@@](=O)(Oc1ccccc1)Oc1cc(=O)c2c([O-])cc(-c3ccc(O)c(O)c3)oc-2c1	ZINC000653710263	562908120	/nfs/dbraw/zinc/90/81/20/562908120.db2.gz	JPHNDPGNNDIYNI-PSXMRANNSA-N	-1	1	513.395	3.905	1	10		KHCFMM