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+](C)(C)[C@@H]1C[C@H]([N+](C)(C)C)[C@H]2c3ccccc3[C@@H]21	ZINC000017193760	361506795	/nfs/dbraw/zinc/50/67/95/361506795.db2.gz	RCQBRIZRKSJETF-YYIAUSFCSA-N	2	0	260.425	2.421	40	5		CEBBRP
C[N+]1(CCC[N+]2(C)CCOCC2)C[C@@H]2CCCC[C@H]2C1	ZINC000001673477	361216364	/nfs/dbraw/zinc/21/63/64/361216364.db2.gz	FZQGUGMELIXWKY-IRXDYDNUSA-N	2	0	282.472	2.120	40	5		CEBBRP
CC[N+](C)(C)C[C@H](C)OCC[N+](CC)(CC)CC	ZINC000005469255	170102376	/nfs/dbraw/zinc/10/23/76/170102376.db2.gz	VSJUGSWQWWCXKO-HNNXBMFYSA-N	2	0	260.466	2.364	40	5		CEBBRP
C[N+]1(CCN[N+]2(C)CCCCC2)CCc2ccccc2C1	ZINC000001768324	361222489	/nfs/dbraw/zinc/22/24/89/361222489.db2.gz	ZENLQZHBAPIOBR-UHFFFAOYSA-N	2	0	289.467	2.324	40	5	in-vitro	CEBBRP
C[N+](C)(C)[C@@H]1C[C@@H]([N+](C)(C)C)[C@H]2c3ccccc3[C@@H]21	ZINC000005884437	170149901	/nfs/dbraw/zinc/14/99/01/170149901.db2.gz	RCQBRIZRKSJETF-QBPKDAKJSA-N	2	0	260.425	2.421	40	5		CEBBRP
C[N+]1(CCOCC[N+]2(C)CCCCC2)CCCCC1	ZINC000005535289	170110100	/nfs/dbraw/zinc/11/01/00/170110100.db2.gz	IANAEAHDOBWSGL-UHFFFAOYSA-N	2	0	270.461	2.264	40	5		CEBBRP
CC[N+](C)(CC)CCC(O)CC[N+](C)(CC)CC	ZINC000001843157	361223152	/nfs/dbraw/zinc/22/31/52/361223152.db2.gz	DIIHAKUTNSAIBH-UHFFFAOYSA-N	2	0	260.466	2.100	40	5		CEBBRP
C[N+]1(CCC[N+]2(C)CCOCC2)C[C@@H]2CCCC[C@@H]2C1	ZINC000017301647	361506496	/nfs/dbraw/zinc/50/64/96/361506496.db2.gz	FZQGUGMELIXWKY-JJTKIYQPSA-N	2	0	282.472	2.120	40	5		CEBBRP
CC[N+](C)(CC)C[C@@H](O)C[N+]1(C)C[C@@H]2CCCC[C@@H]2C1	ZINC000004721594	170004738	/nfs/dbraw/zinc/00/47/38/170004738.db2.gz	VSXSYHRVVHBUKY-KZCXMXTOSA-N	2	0	284.488	2.100	40	5		CEBBRP
C[N+]1(CCC[N+]2(C)CCOCC2)C[C@H]2CCCC[C@@H]2C1	ZINC000001673476	361216004	/nfs/dbraw/zinc/21/60/04/361216004.db2.gz	FZQGUGMELIXWKY-IAGOWNOFSA-N	2	0	282.472	2.120	40	5		CEBBRP
CC[N+](C)(CC)C[C@@H](O)C[N+]1(C)C[C@H]2CCCC[C@@H]2C1	ZINC000004721597	281354247	/nfs/dbraw/zinc/35/42/47/281354247.db2.gz	VSXSYHRVVHBUKY-BRWVUGGUSA-N	2	0	284.488	2.100	40	5		CEBBRP
C[N+](C)(C)[C@H]1C[C@H]([N+](C)(C)C)[C@H]2c3ccccc3[C@@H]21	ZINC000005884428	170150108	/nfs/dbraw/zinc/15/01/08/170150108.db2.gz	RCQBRIZRKSJETF-MWDXBVQZSA-N	2	0	260.425	2.421	40	5		CEBBRP
C[N+]1(CCC[N+]2(C)CCOCC2)Cc2ccccc2C1	ZINC000001677254	280177555	/nfs/dbraw/zinc/17/75/55/280177555.db2.gz	OXLKSERDTMWLBB-UHFFFAOYSA-N	2	0	276.424	2.014	40	5		CEBBRP
C[N+]1(CC(O)C[N+]2(C)CCCCCC2)CCCCCC1	ZINC000001594964	538736656	/nfs/dbraw/zinc/73/66/56/538736656.db2.gz	AHNIVLLGLHOGAF-UHFFFAOYSA-N	2	0	284.488	2.389	40	5		CEBBRP
CC[N+](C)(C)C[C@@H](C)OCC[N+](CC)(CC)CC	ZINC000001997944	361224607	/nfs/dbraw/zinc/22/46/07/361224607.db2.gz	VSJUGSWQWWCXKO-OAHLLOKOSA-N	2	0	260.466	2.364	40	5		CEBBRP
CC[N+](C)(CC)C[C@H](O)C[N+]1(C)C[C@@H]2CCCC[C@@H]2C1	ZINC000001682906	169741206	/nfs/dbraw/zinc/74/12/06/169741206.db2.gz	VSXSYHRVVHBUKY-CKIDTQIGSA-N	2	0	284.488	2.100	40	5		CEBBRP
CC[N+](C)(CC)C[C@H](O)C[N+]1(C)C[C@H]2CCCC[C@@H]2C1	ZINC000004721595	170004862	/nfs/dbraw/zinc/00/48/62/170004862.db2.gz	VSXSYHRVVHBUKY-ZACQAIPSSA-N	2	0	284.488	2.100	40	5		CEBBRP