smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCC[C@H](C)Nc1c2[nH]c3ccccc3c2[n+](C)c2ccccc21	ZINC000028979860	207352633	/nfs/dbraw/zinc/35/26/33/207352633.db2.gz	KCXJHFNJSNBZAV-SFHVURJKSA-O	2	0	389.567	5.221	1	5		GKBFRP
C[n+]1c2ccccc2c(NCCCC[N+](C)(C)C)cc1-c1ccc2ccccc2c1	ZINC000029482563	204891578	/nfs/dbraw/zinc/89/15/78/204891578.db2.gz	SGLXOAFXONJYMU-UHFFFAOYSA-O	2	0	399.582	5.383	1	5		GKBFRP
CC[N+](CC)(CC)CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21	ZINC000013740382	717109434	/nfs/dbraw/zinc/10/94/34/717109434.db2.gz	ZJEIORODHBMTRO-UHFFFAOYSA-O	2	0	399.667	6.015	1	5		GKBFRP
CC[N+](C)(C)[C@@H]1C=C2C=C[C@@H]3[C@H]4CC[C@H]5[C@H](C)[N@@H+](C)C[C@]54CC[C@H]3[C@@]2(C)CC1	ZINC000261506602	717179518	/nfs/dbraw/zinc/17/95/18/717179518.db2.gz	GGXDVUAOXCBCBN-LSHFIYQUSA-N	2	0	383.644	5.120	1	5		GKBFRP
CC[N+](C)(C)[C@H]1C=C2C=C[C@H]3[C@@H]4CC[C@@H]5[C@@H](C)[N@@H+](C)C[C@@]54CC[C@@H]3[C@@]2(C)CC1	ZINC000118913571	717150284	/nfs/dbraw/zinc/15/02/84/717150284.db2.gz	GGXDVUAOXCBCBN-AUKJSKSSSA-N	2	0	383.644	5.120	1	5	in-man	GKBFRP
CC[N+](C)(C)[C@H]1C=C2C=C[C@H]3[C@@H]4CC[C@@H]5[C@H](C)[N@@H+](C)C[C@@]54CC[C@@H]3[C@@]2(C)CC1	ZINC000169290426	717154954	/nfs/dbraw/zinc/15/49/54/717154954.db2.gz	GGXDVUAOXCBCBN-YJDZUCMWSA-N	2	0	383.644	5.120	1	5	in-man	GKBFRP
CC[N+](C)(C)[C@@H]1C=C2C=C[C@@H]3[C@H]4CC[C@H]5[C@@H](C)[N@@H+](C)C[C@]54CC[C@H]3[C@@]2(C)CC1	ZINC000261506603	717179435	/nfs/dbraw/zinc/17/94/35/717179435.db2.gz	GGXDVUAOXCBCBN-VDKGPWSZSA-N	2	0	383.644	5.120	1	5		GKBFRP
CC[NH+](CC)CCCNc1[nH+]cc(C)c2[nH]c3c(ccc4cc(OC)ccc34)c21	ZINC000101201581	211397288	/nfs/dbraw/zinc/39/72/88/211397288.db2.gz	WRBLYKXVOBUNNX-UHFFFAOYSA-N	2	0	390.531	5.282	1	5		GKBFRP
CC[N+](C)(C)[C@@H]1C=C2C=C[C@H]3[C@@H]4CC[C@@H]5[C@@H](C)[N@@H+](C)C[C@@]54CC[C@@H]3[C@@]2(C)CC1	ZINC000118913572	717150344	/nfs/dbraw/zinc/15/03/44/717150344.db2.gz	GGXDVUAOXCBCBN-NESZIOSOSA-N	2	0	383.644	5.120	1	5	in-man	GKBFRP
CC[N+](C)(C)[C@@H]1C=C2C=C[C@@H]3[C@H]4CC[C@H]5[C@H](C)[N@@H+](C)C[C@@]54CC[C@H]3[C@@]2(C)CC1	ZINC000261506600	717179480	/nfs/dbraw/zinc/17/94/80/717179480.db2.gz	GGXDVUAOXCBCBN-AMRGRTDNSA-N	2	0	383.644	5.120	1	5		GKBFRP
C[N+](C)(C)CCCCNc1cc(-c2ccc3ccccc3c2)[nH+]c2ccccc12	ZINC000029479728	717119366	/nfs/dbraw/zinc/11/93/66/717119366.db2.gz	PTCIHKDPGPBRSN-UHFFFAOYSA-N	2	0	384.547	5.953	1	5		GKBFRP
CC[N+](C)(C)[C@@H]1C=C2C=C[C@H]3[C@@H]4CC[C@@H]5[C@H](C)[N@@H+](C)C[C@@]54CC[C@@H]3[C@@]2(C)CC1	ZINC000005651692	717100252	/nfs/dbraw/zinc/10/02/52/717100252.db2.gz	GGXDVUAOXCBCBN-HJZGYWQISA-N	2	0	383.644	5.120	1	5	in-man	GKBFRP
CC[N+](CC)(CC)Cc1ccc(Oc2ccc(C[N+](CC)(CC)CC)cc2)cc1	ZINC000299844542	717181341	/nfs/dbraw/zinc/18/13/41/717181341.db2.gz	DVKANMXNXXAMCW-UHFFFAOYSA-N	2	0	398.635	6.232	1	5		GKBFRP
CCC[NH2+]CCCC[NH2+]CCCC[NH2+]Cc1c2ccccc2cc2ccccc21	ZINC000040393123	205062527	/nfs/dbraw/zinc/06/25/27/205062527.db2.gz	FDPDCOXPAXRSRQ-UHFFFAOYSA-N	3	0	391.603	5.232	1	5		GKBFRP
CC[NH+](CC)CCCNc1nccc2c(C)c3[nH]c4cc[nH+]cc4c3c(C)c21	ZINC000029488361	207363301	/nfs/dbraw/zinc/36/33/01/207363301.db2.gz	LKRRNQQFDSLVKT-UHFFFAOYSA-N	3	0	375.520	5.025	1	5		GKBFRP
C[N+]1(CCCCCCCCCCCCCCCC[N+]2(C)CCCC2)CCCC1	ZINC000003966186	560191860	/nfs/dbraw/zinc/19/18/60/560191860.db2.gz	LDNONSUMLZKBND-UHFFFAOYSA-N	2	0	394.732	6.929	1	5	in-vitro	GKBFRP
C(CCCCCC[N+]12CCC(CC1)CC2)CCCCC[N+]12CCC(CC1)CC2	ZINC000013679895	717109381	/nfs/dbraw/zinc/10/93/81/717109381.db2.gz	QHHQOWLQSGHVPK-UHFFFAOYSA-N	2	0	390.700	6.148	1	5		GKBFRP
CC[NH+](CC)CCCNc1[nH+]cc(C)c2c1c1ccc3cc(O)ccc3c1n2C	ZINC000029321071	207359875	/nfs/dbraw/zinc/35/98/75/207359875.db2.gz	RIENLXWBBOAQEO-UHFFFAOYSA-N	2	0	390.531	5.038	1	5		GKBFRP
C[C@]12CC[C@@H]([N+]3(C)CCCC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC[N+]2(C)C	ZINC000006067780	717103330	/nfs/dbraw/zinc/10/33/30/717103330.db2.gz	CNIZXZLUTPTWET-GUDWGEGSSA-N	2	0	388.684	5.467	1	5		GKBFRP
CC[N+](C)(C)[C@@H]1C=C2C=C[C@@H]3[C@H]4CC[C@H]5[C@@H](C)[N@@H+](C)C[C@@]54CC[C@H]3[C@@]2(C)CC1	ZINC000261506601	717179562	/nfs/dbraw/zinc/17/95/62/717179562.db2.gz	GGXDVUAOXCBCBN-JYKIFXNKSA-N	2	0	383.644	5.120	1	5		GKBFRP