smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccc(-c2ccccc2)cc1C[NH+]1CCCCCC1	ZINC000004357468	567074393	/nfs/dbraw/zinc/07/43/93/567074393.db2.gz	PYNTUDSNQFCTCG-UHFFFAOYSA-N	0	1	281.399	4.435	40	10		CICBMN
CCn1c2ccccc2c2cc([O-])c(C[NH+](CC)CC)cc21	ZINC000001873884	528185649	/nfs/dbraw/zinc/18/56/49/528185649.db2.gz	IRZVSAUWLJLTLH-UHFFFAOYSA-N	0	1	296.414	4.362	40	10		CICBMN
O=C1C=CC(=NN=c2[nH]c3ccccc3s2)C=C1	ZINC000004832911	170026119	/nfs/dbraw/zinc/02/61/19/170026119.db2.gz	WYRXPQUYGXJFOU-FOCLMDBBSA-N	0	1	255.302	4.417	40	10		CICBMN
O=C1C=CC(=[NH+][N-]c2nc3ccccc3s2)C=C1	ZINC000004832911	170026120	/nfs/dbraw/zinc/02/61/20/170026120.db2.gz	WYRXPQUYGXJFOU-FOCLMDBBSA-N	0	1	255.302	4.417	40	10		CICBMN
Cc1ccc2oc(=O)c(C3=CC=CCC3=S)c(C)c2c1	ZINC000071404987	176155389	/nfs/dbraw/zinc/15/53/89/176155389.db2.gz	PAVYGQNKWDQYTG-UHFFFAOYSA-N	0	1	282.364	4.123	40	10		CICBMN
COC(=O)c1ccccc1NN=C1C=C(C)C(C)=CC1=O	ZINC000104181711	534286956	/nfs/dbraw/zinc/28/69/56/534286956.db2.gz	CUJXRPCBUYGJOU-ISLYRVAYSA-N	0	1	284.315	4.211	40	10		CICBMN
CN(C)c1ccc(N=Nc2ccc3nc[nH]c3c2)cc1	ZINC000104314776	567916624	/nfs/dbraw/zinc/91/66/24/567916624.db2.gz	WFCWCGCKZSPYGF-HNENSFHCSA-N	0	1	265.320	4.044	40	10		CICBMN
COc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1	ZINC000019964834	567945061	/nfs/dbraw/zinc/94/50/61/567945061.db2.gz	ZIEMFADKSTYQJC-UHFFFAOYSA-N	0	1	298.169	4.320	40	10		CICBMN
CN(C)c1ccc(C=Cc2nc3ccc(Cl)cc3[nH]2)cc1	ZINC000004824571	170024420	/nfs/dbraw/zinc/02/44/20/170024420.db2.gz	UCCPDHNBGYTLGB-YHYXMXQVSA-N	0	1	297.789	4.453	40	10		CICBMN
Cc1cc(C)c2nccc(Nc3ccc(N)cc3)c2c1	ZINC000064875353	567110115	/nfs/dbraw/zinc/11/01/15/567110115.db2.gz	LXOIQEAOUWEGBH-UHFFFAOYSA-N	0	1	263.344	4.177	40	10		CICBMN
Oc1c(Cl)cc(Cl)cc1CNc1ccccc1	ZINC000001681068	567841425	/nfs/dbraw/zinc/84/14/25/567841425.db2.gz	RPQIKHYWFFZVIZ-UHFFFAOYSA-N	0	1	268.143	4.311	40	10		CICBMN
CN(C)c1ccc(C=Cc2nc3ccc(Cl)cc3[nH]2)cc1	ZINC000005422974	170097745	/nfs/dbraw/zinc/09/77/45/170097745.db2.gz	UCCPDHNBGYTLGB-BJMVGYQFSA-N	0	1	297.789	4.453	40	10		CICBMN
Cc1ccc2c(Nc3ccc(N)cc3)ccnc2c1C	ZINC000064875357	567111218	/nfs/dbraw/zinc/11/12/18/567111218.db2.gz	FGEYFJKZKXSWKF-UHFFFAOYSA-N	0	1	263.344	4.177	40	10		CICBMN
CCc1ccc2nccc(Nc3ccc(N)cc3)c2c1	ZINC000064875334	567111277	/nfs/dbraw/zinc/11/12/77/567111277.db2.gz	KJRAVJVXEMLXDF-UHFFFAOYSA-N	0	1	263.344	4.123	40	10		CICBMN
Cc1ccc(-c2ccccc2)n1-c1cc([N+](=O)[O-])ccc1O	ZINC000408740696	567861173	/nfs/dbraw/zinc/86/11/73/567861173.db2.gz	DINMTYNGDXOZQN-UHFFFAOYSA-N	0	1	294.310	4.067	40	10		CICBMN
COC(=O)c1ccccc1NN=C1C=C(C)C(C)=CC1=O	ZINC000017041991	567874651	/nfs/dbraw/zinc/87/46/51/567874651.db2.gz	CUJXRPCBUYGJOU-ZCXUNETKSA-N	0	1	284.315	4.211	40	10		CICBMN
[O-]c1c(C[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)ccc2ccccc21	ZINC000004934824	170042355	/nfs/dbraw/zinc/04/23/55/170042355.db2.gz	KRSKWSDZSFLDIP-GJZGRUSLSA-N	0	1	281.399	4.167	40	10		CICBMN
[O-]c1c(C[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)ccc2ccccc21	ZINC000004934824	170042356	/nfs/dbraw/zinc/04/23/56/170042356.db2.gz	KRSKWSDZSFLDIP-GJZGRUSLSA-N	0	1	281.399	4.167	40	10		CICBMN
CCOC(=O)[N-][N+](=O)c1c(Cl)cc(Cl)cc1Cl	ZINC000005795697	170141352	/nfs/dbraw/zinc/14/13/52/170141352.db2.gz	QRWOYCXSEHNGKM-YPKPFQOOSA-N	0	1	297.525	4.397	40	10		CICBMN