smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+]1(Cc2ccc([N+](=O)[O-])cc2)CCC[C@@H]1c1ccc[n+](Cc2ccc([N+](=O)[O-])cc2)c1	ZINC000017003555	556652746	/nfs/dbraw/zinc/65/27/46/556652746.db2.gz	AZUMTFVJTUBPEL-RIBGEGAISA-N	2	0	434.496	4.321	40	5		IIBBRP
COc1cc2c(cc1OC)C[N@+](C)(C[C@H](C)OC[C@@H]1CCC[N@+]3(C)CCCC[C@H]13)CC2	ZINC000247636300	557149125	/nfs/dbraw/zinc/14/91/25/557149125.db2.gz	DQIWXFKZQSJBGC-BMRDNESYSA-N	2	0	432.649	4.021	40	5		IIBBRP
C[N+]1(CCO)CC[N+](C)(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1	ZINC000001705061	132246398	/nfs/dbraw/zinc/24/63/98/132246398.db2.gz	JHARLDHKTVDEEO-UHFFFAOYSA-N	2	0	434.049	4.232	40	5		IIBBRP
CC[N+](C)(CC)CCOC(=O)c1cccc2cccc(C(=O)OCC[N+](C)(CC)CC)c21	ZINC000016693674	556627925	/nfs/dbraw/zinc/62/79/25/556627925.db2.gz	CFSNIICIWZYURB-UHFFFAOYSA-N	2	0	444.616	4.126	40	5		IIBBRP
COc1cc2c(cc1OC)C[N@+](C)(C[C@H](C)OC[C@@H]1CCC[N@@+]3(C)CCCC[C@@H]13)CC2	ZINC000247636306	557148967	/nfs/dbraw/zinc/14/89/67/557148967.db2.gz	DQIWXFKZQSJBGC-MGDIXTJJSA-N	2	0	432.649	4.021	40	5		IIBBRP
COc1cc2c(cc1OC)C[N@+](C)(C[C@H](C)OC[C@@H]1CCC[N@@+]3(C)CCCC[C@H]13)CC2	ZINC000247636303	557149115	/nfs/dbraw/zinc/14/91/15/557149115.db2.gz	DQIWXFKZQSJBGC-GUVULPRESA-N	2	0	432.649	4.021	40	5		IIBBRP
C[N+]1(Cc2ccc([N+](=O)[O-])cc2)CCC[C@H]1c1ccc[n+](Cc2ccc([N+](=O)[O-])cc2)c1	ZINC000004804976	556012536	/nfs/dbraw/zinc/01/25/36/556012536.db2.gz	AZUMTFVJTUBPEL-ZZDYIDRTSA-N	2	0	434.496	4.321	40	5		IIBBRP
CC[N+](CC)(CC)CCOC(=O)CCCCCCC(=O)OCC[N+](CC)(CC)CC	ZINC000005469428	556055563	/nfs/dbraw/zinc/05/55/63/556055563.db2.gz	DQVDNDJUSPNEAH-UHFFFAOYSA-N	2	0	430.674	4.166	40	5		IIBBRP
COc1cc2c(cc1OC)C[N@+](C)(C[C@H](C)OC[C@@H]1CCC[N@+]3(C)CCCC[C@@H]13)CC2	ZINC000247636309	557149018	/nfs/dbraw/zinc/14/90/18/557149018.db2.gz	DQIWXFKZQSJBGC-VXCCDYNCSA-N	2	0	432.649	4.021	40	5		IIBBRP