smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1)[NH+](C)C	ZINC001359766678	1064393549	/nfs/dbraw/zinc/39/35/49/1064393549.db2.gz	RUWWWBGJUCBWKW-MHZLTWQESA-N	2	0	491.728	4.885	20	30		JJEDRP
CC(C)C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[NH+](C)C	ZINC001359766741	1064393613	/nfs/dbraw/zinc/39/36/13/1064393613.db2.gz	SSVHMSGJXGDKKF-VPUSJEBWSA-N	2	0	491.728	4.741	20	30		JJEDRP
CC(C)c1nnc(N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C	ZINC001359712450	1064260846	/nfs/dbraw/zinc/26/08/46/1064260846.db2.gz	SCOYGWRSUCKBJS-DEOSSOPVSA-N	2	0	477.701	4.640	20	30		JJEDRP
CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1	ZINC001360009358	1064799006	/nfs/dbraw/zinc/79/90/06/1064799006.db2.gz	AIVYIGYJOZCNLN-AREMUKBSSA-N	2	0	491.728	4.741	20	30		JJEDRP
CC(C)[NH+](CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1)C(C)C	ZINC001360123966	1065015816	/nfs/dbraw/zinc/01/58/16/1065015816.db2.gz	RAQCRZDORWCGEU-UHFFFAOYSA-N	2	0	477.701	4.780	20	30		JJEDRP
CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1	ZINC001360092892	1064964729	/nfs/dbraw/zinc/96/47/29/1064964729.db2.gz	WQDHSNGVRITPSV-VWLOTQADSA-N	2	0	491.709	4.738	20	30		JJEDRP
CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1)[NH+](C)C	ZINC001359766677	1064393389	/nfs/dbraw/zinc/39/33/89/1064393389.db2.gz	RUWWWBGJUCBWKW-HHHXNRCGSA-N	2	0	491.728	4.885	20	30		JJEDRP
CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[NH+](C)C	ZINC001359766742	1064393563	/nfs/dbraw/zinc/39/35/63/1064393563.db2.gz	SSVHMSGJXGDKKF-XNMGPUDCSA-N	2	0	491.728	4.741	20	30		JJEDRP
CC(C)c1nnc(N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C	ZINC001359712451	1064260906	/nfs/dbraw/zinc/26/09/06/1064260906.db2.gz	SCOYGWRSUCKBJS-XMMPIXPASA-N	2	0	477.701	4.640	20	30		JJEDRP
CC(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CCCC[NH+]1CCC(C)CC1	ZINC001359841505	1064528654	/nfs/dbraw/zinc/52/86/54/1064528654.db2.gz	QIDKAMYDTBDFAR-UHFFFAOYSA-N	2	0	491.728	4.573	20	30		JJEDRP
CC(C)C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[NH+](C)C	ZINC001359766740	1064393606	/nfs/dbraw/zinc/39/36/06/1064393606.db2.gz	SSVHMSGJXGDKKF-BDYUSTAISA-N	2	0	491.728	4.741	20	30		JJEDRP
CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1	ZINC001360092891	1064964801	/nfs/dbraw/zinc/96/48/01/1064964801.db2.gz	WQDHSNGVRITPSV-RUZDIDTESA-N	2	0	491.709	4.738	20	30		JJEDRP
CC(C)[NH+](CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)C(C)C	ZINC001360124140	1065016259	/nfs/dbraw/zinc/01/62/59/1065016259.db2.gz	WDXOVFWZYBHCPT-RUZDIDTESA-N	2	0	477.701	4.638	20	30		JJEDRP
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1	ZINC001460313727	1067605339	/nfs/dbraw/zinc/60/53/39/1067605339.db2.gz	FMYXYEUXHWFLLO-MWRHLSOJSA-N	2	0	450.671	4.684	20	30		JJEDRP
CC(C)[NH+](CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1)C(C)C	ZINC001360123954	1065015924	/nfs/dbraw/zinc/01/59/24/1065015924.db2.gz	QMESWQBQRUOMPO-UHFFFAOYSA-N	2	0	477.701	4.780	20	30		JJEDRP
CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[NH+](C)C	ZINC001359766739	1064393467	/nfs/dbraw/zinc/39/34/67/1064393467.db2.gz	SSVHMSGJXGDKKF-AHKZPQOWSA-N	2	0	491.728	4.741	20	30		JJEDRP
CC(C)[NH+](CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)C(C)C	ZINC001360124142	1065016357	/nfs/dbraw/zinc/01/63/57/1065016357.db2.gz	WDXOVFWZYBHCPT-VWLOTQADSA-N	2	0	477.701	4.638	20	30		JJEDRP
CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1	ZINC001360009359	1064799183	/nfs/dbraw/zinc/79/91/83/1064799183.db2.gz	AIVYIGYJOZCNLN-SANMLTNESA-N	2	0	491.728	4.741	20	30		JJEDRP
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1	ZINC001460313714	1067605476	/nfs/dbraw/zinc/60/54/76/1067605476.db2.gz	FMYXYEUXHWFLLO-MJMJPBAGSA-N	2	0	450.671	4.684	20	30		JJEDRP
C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1	ZINC001461226298	1067804361	/nfs/dbraw/zinc/80/43/61/1067804361.db2.gz	YOISPSDOSZTRCS-UHFFFAOYSA-N	2	0	453.380	4.976	20	30		JJEDRP
CC(C)CC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1	ZINC001359947974	1064699431	/nfs/dbraw/zinc/69/94/31/1064699431.db2.gz	QSRAXSNPAMZUFB-UHFFFAOYSA-N	2	0	491.728	4.744	20	30		JJEDRP