smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CN2CCCCC[C@H]2c2cc(C)on2)c(O)c1	ZINC000012185851	563364045	/nfs/dbraw/zinc/36/40/45/563364045.db2.gz	XPZASMBEGBSPHH-KRWDZBQOSA-N	0	1	316.401	3.815	40	10		DHCBMN
[O-]c1c([C@H](c2ccccn2)[NH+]2CCCCC2)ccc2cccnc21	ZINC000020507220	182225914	/nfs/dbraw/zinc/22/59/14/182225914.db2.gz	UNSBLTBZUIGZHT-LJQANCHMSA-N	0	1	319.408	3.911	40	10		DHCBMN
CCCCc1c(O)n2n(c1=O)-c1ccccc1-c1ccccc1-2	ZINC000001710120	563292751	/nfs/dbraw/zinc/29/27/51/563292751.db2.gz	VLJWATVEPCEBEN-UHFFFAOYSA-N	0	1	306.365	3.768	40	10		DHCBMN
Oc1c(Cl)cc(Cl)cc1CNc1ccc2[nH]nnc2c1	ZINC000036422274	563927252	/nfs/dbraw/zinc/92/72/52/563927252.db2.gz	QEHVTUCLCBXQIC-UHFFFAOYSA-N	0	1	309.156	3.582	40	10		DHCBMN
O=C1C=CC(=NNc2n[nH]c(-c3ccc([N+](=O)[O-])cc3)n2)C=C1	ZINC000016675723	182057223	/nfs/dbraw/zinc/05/72/23/182057223.db2.gz	ZVORVIVLISRHLW-VLGSPTGOSA-N	0	1	310.273	3.501	40	10		DHCBMN
Cn1cc([C@H]2CCCCC[N@@H+]2Cc2cc(Cl)ccc2[O-])cn1	ZINC000019290609	182112596	/nfs/dbraw/zinc/11/25/96/182112596.db2.gz	HBFBXRXWXMKFIB-MRXNPFEDSA-N	0	1	319.836	3.896	40	10		DHCBMN
Cn1cc([C@H]2CCCCC[N@H+]2Cc2cc(Cl)ccc2[O-])cn1	ZINC000019290609	182112598	/nfs/dbraw/zinc/11/25/98/182112598.db2.gz	HBFBXRXWXMKFIB-MRXNPFEDSA-N	0	1	319.836	3.896	40	10		DHCBMN
CC(C)(C)c1ccc(-c2nc(COc3ccc(N)cc3)n[nH]2)cc1	ZINC000062719586	184250765	/nfs/dbraw/zinc/25/07/65/184250765.db2.gz	TVRRWQNGQZCKNK-UHFFFAOYSA-N	0	1	322.412	3.930	40	10		DHCBMN
CN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2O)SC1=S	ZINC000033925186	563770230	/nfs/dbraw/zinc/77/02/30/563770230.db2.gz	KPGJMYTVWMEGCB-FPYGCLRLSA-N	0	1	320.222	3.530	40	10		DHCBMN
CCN(CC)c1ccc(N=Nc2n[nH]c(C)c2[N+](=O)[O-])cc1	ZINC000004737494	181144646	/nfs/dbraw/zinc/14/46/46/181144646.db2.gz	IQIHTGPJYXMFMH-FBMGVBCBSA-N	0	1	302.338	3.888	40	10		DHCBMN
Oc1c2ccccc2ccc1[C@H](c1ccccc1)N1CCOCC1	ZINC000031658826	563440324	/nfs/dbraw/zinc/44/03/24/563440324.db2.gz	RBAHJVKVIABDMN-FQEVSTJZSA-N	0	1	319.404	3.967	40	10		DHCBMN
Oc1c2ccccc2ccc1[C@@H](c1ccccc1)N1CCOCC1	ZINC000031658829	563440339	/nfs/dbraw/zinc/44/03/39/563440339.db2.gz	RBAHJVKVIABDMN-HXUWFJFHSA-N	0	1	319.404	3.967	40	10		DHCBMN
CC1=NN(c2ccccc2)C(=S)C1C=Nc1ccc(C)cn1	ZINC000100150112	563547055	/nfs/dbraw/zinc/54/70/55/563547055.db2.gz	XOCJJWAOGAENJY-RVDMUPIBSA-N	0	1	308.410	3.909	40	10		DHCBMN
COc1ccc(CN2CCCCC[C@@H]2c2cc(C)on2)c(O)c1	ZINC000012185848	563363995	/nfs/dbraw/zinc/36/39/95/563363995.db2.gz	XPZASMBEGBSPHH-QGZVFWFLSA-N	0	1	316.401	3.815	40	10		DHCBMN
Cn1cc([C@@H]2CCCCC[N@@H+]2Cc2cc(Cl)ccc2[O-])cn1	ZINC000019290607	182112493	/nfs/dbraw/zinc/11/24/93/182112493.db2.gz	HBFBXRXWXMKFIB-INIZCTEOSA-N	0	1	319.836	3.896	40	10		DHCBMN
Cn1cc([C@@H]2CCCCC[N@H+]2Cc2cc(Cl)ccc2[O-])cn1	ZINC000019290607	182112494	/nfs/dbraw/zinc/11/24/94/182112494.db2.gz	HBFBXRXWXMKFIB-INIZCTEOSA-N	0	1	319.836	3.896	40	10		DHCBMN
Oc1cc2c(cc1O)[C@H](c1ccc(Cl)c(Cl)c1)NCC2	ZINC000019691550	182137544	/nfs/dbraw/zinc/13/75/44/182137544.db2.gz	JDCXDIRUZGBWAK-HNNXBMFYSA-N	0	1	310.180	3.640	40	10		DHCBMN
Oc1cc2c(cc1O)[C@@H](c1ccc(Cl)c(Cl)c1)NCC2	ZINC000019691552	182137944	/nfs/dbraw/zinc/13/79/44/182137944.db2.gz	JDCXDIRUZGBWAK-OAHLLOKOSA-N	0	1	310.180	3.640	40	10		DHCBMN
[O-]c1c([C@@H](c2cccc(O)c2)[NH+]2CCCC2)ccc2cccnc21	ZINC000000038243	563514845	/nfs/dbraw/zinc/51/48/45/563514845.db2.gz	GDKJUKABSCEYAQ-LJQANCHMSA-N	0	1	320.392	3.831	40	10		DHCBMN
[O-]c1c([C@H](c2cccc(O)c2)[NH+]2CCCC2)ccc2cccnc21	ZINC000000038242	563514489	/nfs/dbraw/zinc/51/44/89/563514489.db2.gz	GDKJUKABSCEYAQ-IBGZPJMESA-N	0	1	320.392	3.831	40	10		DHCBMN
[O-]c1c([C@@H](c2ccccn2)[NH+]2CCCCC2)ccc2cccnc21	ZINC000020507221	182226075	/nfs/dbraw/zinc/22/60/75/182226075.db2.gz	UNSBLTBZUIGZHT-IBGZPJMESA-N	0	1	319.408	3.911	40	10		DHCBMN