smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N+](CC)(CC)CC[N@+](C)(CC)Cc1cc2ccccc2o1	ZINC000245247808	202512621	/nfs/dbraw/zinc/51/26/21/202512621.db2.gz	XTALPUOQNTXSHU-NRFANRHFSA-N	2	0	318.505	4.276	50	5		DIBARP
C[N+](C)(CCCC[N+](C)(C)CC1CCCC1)CC1CCCC1	ZINC000585151865	563522849	/nfs/dbraw/zinc/52/28/49/563522849.db2.gz	ZZMPYFGAQJNTTH-UHFFFAOYSA-N	2	0	310.570	4.300	50	5		DIBARP
CC[N@@+]1(Cc2ccccc2)c2ccccc2C2=C1CC[N@@H+](C)C2	ZINC000252429283	563914882	/nfs/dbraw/zinc/91/48/82/563914882.db2.gz	UDZDTUFWJWBVSU-HSZRJFAPSA-N	2	0	305.445	4.274	50	5	biogenic	DIBARP
C[N+]1(C)Cc2cc3ccc4cc5c(cc4c3cc2C1)C[N+](C)(C)C5	ZINC000002267869	563920902	/nfs/dbraw/zinc/92/09/02/563920902.db2.gz	SYJFNHYJZCXNSL-UHFFFAOYSA-N	2	0	318.464	4.173	50	5		DIBARP
CC[N@+]1(Cc2ccccc2)c2ccccc2C2=C1CC[N@@H+](C)C2	ZINC000252429284	563914984	/nfs/dbraw/zinc/91/49/84/563914984.db2.gz	UDZDTUFWJWBVSU-QHCPKHFHSA-N	2	0	305.445	4.274	50	5	biogenic	DIBARP
CC(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)C	ZINC000390834851	262503831	/nfs/dbraw/zinc/50/38/31/262503831.db2.gz	IGVGYRAUQBUNEA-UHFFFAOYSA-N	2	0	300.575	4.402	50	5		DIBARP
CC[N+](CC)(CC)CCC[N+]1=C(C)C(C)(C)c2ccccc21	ZINC000138605248	186018007	/nfs/dbraw/zinc/01/80/07/186018007.db2.gz	CHGXODLLHRJBCD-UHFFFAOYSA-N	2	0	302.506	4.349	50	5		DIBARP
CC[N+](CC)(CC)Cc1ccc(C[N+](CC)(CC)CC)cc1	ZINC000001607028	180878781	/nfs/dbraw/zinc/87/87/81/180878781.db2.gz	ZVZVESDQWHFWRE-UHFFFAOYSA-N	2	0	306.538	4.440	50	5		DIBARP
C[NH+](C)CCCNc1c2[nH]c3ccccc3c2[nH+]c2ccccc21	ZINC000013675781	563385461	/nfs/dbraw/zinc/38/54/61/563385461.db2.gz	CTDCVGDSVHUYMA-UHFFFAOYSA-N	2	0	318.424	4.233	50	5		DIBARP
CC[N+](CC)(CC)CC[N@@+](C)(CC)Cc1cc2ccccc2o1	ZINC000245247810	563881624	/nfs/dbraw/zinc/88/16/24/563881624.db2.gz	XTALPUOQNTXSHU-OAQYLSRUSA-N	2	0	318.505	4.276	50	5		DIBARP