smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSc1nc([N+](C)(C)C)cc([N+](C)(C)C)n1	ZINC000001681571	342708753	/nfs/dbraw/zinc/70/87/53/342708753.db2.gz	BUXKANOVZGPZKH-UHFFFAOYSA-N	2	0	242.392	1.592	40	5		BDBBRP
C[N+]1(CC[N+]2(C)CCOCC2)CCCCC1	ZINC000001646427	383916352	/nfs/dbraw/zinc/91/63/52/383916352.db2.gz	NTJSNPAWZVQTTA-UHFFFAOYSA-N	2	0	228.380	1.094	40	5		BDBBRP
C[N+](C)(C)C[C@H]1CCC[C@@H](C[N+](C)(C)C)C1O	ZINC000017194587	177486840	/nfs/dbraw/zinc/48/68/40/177486840.db2.gz	RGEJGKAPVHMJMK-PBWFPOADSA-N	2	0	244.423	1.176	40	5		BDBBRP
C[NH+](C)C[C@@]1(c2ccccc2)CC[N+](C)(C)C1	ZINC000001717939	383929096	/nfs/dbraw/zinc/92/90/96/383929096.db2.gz	FXEBVCSNTLJJLO-HNNXBMFYSA-N	2	0	233.379	1.966	40	5		BDBBRP
[NH3+][C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000100809878	384653644	/nfs/dbraw/zinc/65/36/44/384653644.db2.gz	GOHIARIQILJWSN-TXEJJXNPSA-N	2	0	249.314	1.954	40	5		BDBBRP
C[C@H](CC(C)(C)[N+](C)(C)C)[N+](C)(C)C	ZINC000001636926	176606162	/nfs/dbraw/zinc/60/61/62/176606162.db2.gz	IOHZUJOEMGZVHB-LLVKDONJSA-N	2	0	202.386	1.956	40	5		BDBBRP
COC[n+]1cccc([C@H]2CCC[N+]2(C)C)c1	ZINC000005385417	342763012	/nfs/dbraw/zinc/76/30/12/342763012.db2.gz	YJCUCEDVPHWWMV-CYBMUJFWSA-N	2	0	222.332	1.489	40	5		BDBBRP
C[N+](C)(C)C[C@H]1CCC[C@H](C[N+](C)(C)C)C1O	ZINC000001620426	383912267	/nfs/dbraw/zinc/91/22/67/383912267.db2.gz	RGEJGKAPVHMJMK-CHWSQXEVSA-N	2	0	244.423	1.176	40	5		BDBBRP
C[N+](C)(C)C[C@H]1CCC[C@H](C[N+](C)(C)C)C1=O	ZINC000001616995	177486189	/nfs/dbraw/zinc/48/61/89/177486189.db2.gz	RQVGCCGAQUDRPT-CHWSQXEVSA-N	2	0	242.407	1.384	40	5		BDBBRP
C[N+](C)(C)C[C@@H]1CCC[C@@H](C[N+](C)(C)C)C1=O	ZINC000001616994	383911478	/nfs/dbraw/zinc/91/14/78/383911478.db2.gz	RQVGCCGAQUDRPT-STQMWFEESA-N	2	0	242.407	1.384	40	5		BDBBRP
COC[n+]1cccc([C@@H]2CCC[N+]2(C)C)c1	ZINC000001563615	174618040	/nfs/dbraw/zinc/61/80/40/174618040.db2.gz	YJCUCEDVPHWWMV-ZDUSSCGKSA-N	2	0	222.332	1.489	40	5		BDBBRP
c1cc2ccc3ccc[n+]4c3c2[n+](c1)CCC4	ZINC000004984353	183375545	/nfs/dbraw/zinc/37/55/45/183375545.db2.gz	VVCUMCOARYCLHE-UHFFFAOYSA-N	2	0	222.291	1.972	40	5		BDBBRP
C[N+](C)(C)CCC[N+]1(C)C[C@H]2CC[C@@H]2C1	ZINC000001694706	383926159	/nfs/dbraw/zinc/92/61/59/383926159.db2.gz	RIEUJROYQIQIKK-CHWSQXEVSA-N	2	0	212.381	1.569	40	5		BDBBRP
C[N+](C)(C)C[C@@H]1CCC[C@@H]1C[N+](C)(C)C	ZINC000017004903	384478504	/nfs/dbraw/zinc/47/85/04/384478504.db2.gz	NVJZHGPRWSNXHO-BETUJISGSA-N	2	0	214.397	1.815	40	5		BDBBRP
C[N+](C)(C)CCN[N+]1(C)CCCc2ccccc21	ZINC000001561530	177486213	/nfs/dbraw/zinc/48/62/13/177486213.db2.gz	OYBAXZQESJUZKL-UHFFFAOYSA-N	2	0	249.402	1.781	40	5	in-vitro	BDBBRP
C[N+](C)(C)C[C@@H]1CCC[C@@H](C[N+](C)(C)C)C1O	ZINC000001620425	383912632	/nfs/dbraw/zinc/91/26/32/383912632.db2.gz	RGEJGKAPVHMJMK-STQMWFEESA-N	2	0	244.423	1.176	40	5		BDBBRP
C[C@@H](CC(C)(C)[N+](C)(C)C)[N+](C)(C)C	ZINC000006437030	175649986	/nfs/dbraw/zinc/64/99/86/175649986.db2.gz	IOHZUJOEMGZVHB-NSHDSACASA-N	2	0	202.386	1.956	40	5		BDBBRP
CC[N+](C)(C)CCOCC[N+](C)(C)CC	ZINC000001998181	342714161	/nfs/dbraw/zinc/71/41/61/342714161.db2.gz	MRYOWBPTJWDLQT-UHFFFAOYSA-N	2	0	218.385	1.196	40	5		BDBBRP
C[N+](C)(C)C[C@H]1CCC[C@@H]1C[N+](C)(C)C	ZINC000001631103	383915631	/nfs/dbraw/zinc/91/56/31/383915631.db2.gz	NVJZHGPRWSNXHO-CHWSQXEVSA-N	2	0	214.397	1.815	40	5		BDBBRP
[NH3+][C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000255187760	181591787	/nfs/dbraw/zinc/59/17/87/181591787.db2.gz	GOHIARIQILJWSN-HAQNSBGRSA-N	2	0	249.314	1.954	40	5		BDBBRP
[NH3+]CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000003852009	181383692	/nfs/dbraw/zinc/38/36/92/181383692.db2.gz	DTAYWASIRKMWDV-UHFFFAOYSA-N	2	0	209.249	1.033	40	5		BDBBRP
C[N+](C)(C)CCC[N+]1(C)C[C@@H]2CC[C@@H]2C1	ZINC000017325406	384487322	/nfs/dbraw/zinc/48/73/22/384487322.db2.gz	RIEUJROYQIQIKK-NNQSOWQGSA-N	2	0	212.381	1.569	40	5		BDBBRP
c1cc2ccc3ccc[n+]4c3c2[n+](c1)CC4	ZINC000000125944	183376412	/nfs/dbraw/zinc/37/64/12/183376412.db2.gz	PUSYDLRAPRZFQW-UHFFFAOYSA-N	2	0	208.264	1.582	40	5		BDBBRP
[NH3+][C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000255189623	181590687	/nfs/dbraw/zinc/59/06/87/181590687.db2.gz	RDQGLASJCOBMBU-HAQNSBGRSA-N	2	0	249.314	1.954	40	5		BDBBRP
[NH3+][C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000100809886	384654415	/nfs/dbraw/zinc/65/44/15/384654415.db2.gz	RDQGLASJCOBMBU-TXEJJXNPSA-N	2	0	249.314	1.954	40	5		BDBBRP
[NH3+][C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1	ZINC000255189633	388676823	/nfs/dbraw/zinc/67/68/23/388676823.db2.gz	RFBCQPCYUKMYMY-HAQNSBGRSA-N	2	0	249.314	1.954	40	5		BDBBRP
COc1ccc(C[N+](C)(C)[NH3+])cc1OC	ZINC000001637926	175118022	/nfs/dbraw/zinc/11/80/22/175118022.db2.gz	NCHBOCSMLIUTNY-UHFFFAOYSA-N	2	0	211.285	1.154	40	5	in-vitro	BDBBRP
C[N+](C)(C)CCC[N+]1(C)C[C@@H]2CC[C@H]2C1	ZINC000001694707	383924958	/nfs/dbraw/zinc/92/49/58/383924958.db2.gz	RIEUJROYQIQIKK-STQMWFEESA-N	2	0	212.381	1.569	40	5		BDBBRP
[NH3+][C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1	ZINC000100809892	384653973	/nfs/dbraw/zinc/65/39/73/384653973.db2.gz	RFBCQPCYUKMYMY-TXEJJXNPSA-N	2	0	249.314	1.954	40	5		BDBBRP
C[N+](C)(C)C[C@@H]1CCC[C@H]1C[N+](C)(C)C	ZINC000001631102	177486455	/nfs/dbraw/zinc/48/64/55/177486455.db2.gz	NVJZHGPRWSNXHO-STQMWFEESA-N	2	0	214.397	1.815	40	5		BDBBRP
C[NH+](C)CCCCC(=O)CC[N+](C)(C)C	ZINC000001677420	172428338	/nfs/dbraw/zinc/42/83/38/172428338.db2.gz	VBLTXMKJXXRAJM-UHFFFAOYSA-N	2	0	215.361	1.384	40	5		BDBBRP
C[N+](C)(C)C[C@H]1CCC[C@@H](C[N+](C)(C)C)C1=O	ZINC000016953030	384475767	/nfs/dbraw/zinc/47/57/67/384475767.db2.gz	RQVGCCGAQUDRPT-BETUJISGSA-N	2	0	242.407	1.384	40	5		BDBBRP
CO[C@H](CCC[N+](C)(C)C)CC[N+](C)(C)C	ZINC000001636931	352299837	/nfs/dbraw/zinc/29/98/37/352299837.db2.gz	ZJFVOGQIQPTVJJ-CYBMUJFWSA-N	2	0	232.412	1.584	40	5		BDBBRP
CO[C@@H](CCC[N+](C)(C)C)CC[N+](C)(C)C	ZINC000005764617	358428413	/nfs/dbraw/zinc/42/84/13/358428413.db2.gz	ZJFVOGQIQPTVJJ-ZDUSSCGKSA-N	2	0	232.412	1.584	40	5		BDBBRP