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)Cc1cc(Nc2c3ccc(Cl)cc3[nH+]c3ccc4ccccc4c32)ccc1O	ZINC000004522659	194391561	/nfs/dbraw/zinc/39/15/61/194391561.db2.gz	DLIBBGHUYXYFMZ-UHFFFAOYSA-N	2	0	455.989	7.486	40	10		JKCBRP
CC[NH+](CC)CCC[C@H](Nc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21)c1ccncc1	ZINC000031912024	556411072	/nfs/dbraw/zinc/41/10/72/556411072.db2.gz	UWHHGPUJFLEBJQ-DEOSSOPVSA-N	2	0	463.025	6.720	40	10		JKCBRP
CC[NH+](CC)CCC[C@H](Nc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21)c1ccc(F)cc1	ZINC000008602904	520639634	/nfs/dbraw/zinc/63/96/34/520639634.db2.gz	IUQXIOUBUALYAC-VWLOTQADSA-N	2	0	480.027	7.464	40	10		JKCBRP
CC[NH+](CC)CC[C@H](CNc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21)c1ccccc1	ZINC000008602982	520710824	/nfs/dbraw/zinc/71/08/24/520710824.db2.gz	MZKUHPSACPVODL-OAQYLSRUSA-N	2	0	462.037	6.978	40	10		JKCBRP
COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(O)c(C[NH+]4CCN(C)CC4)c3)c2c1	ZINC000022451073	525682324	/nfs/dbraw/zinc/68/23/24/525682324.db2.gz	SUSDGTMJKOGWSZ-UHFFFAOYSA-N	2	0	462.981	5.247	40	10	in-vitro	JKCBRP
Clc1ccc(-c2c[n+](/N=N/[n+]3cc(-c4ccc(Cl)cc4)n4c3CCC4)c3n2CCC3)cc1	ZINC000027027808	526932619	/nfs/dbraw/zinc/93/26/19/526932619.db2.gz	FTEGNQPGDKWMMR-BYYHNAKLSA-N	2	0	465.388	5.076	40	10		JKCBRP
CC[NH+](CC)CC[C@@H](CNc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21)c1ccccc1	ZINC000004416436	520708524	/nfs/dbraw/zinc/70/85/24/520708524.db2.gz	MZKUHPSACPVODL-NRFANRHFSA-N	2	0	462.037	6.978	40	10		JKCBRP
CC[NH+](CC)CCC[C@H](Nc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21)c1cccs1	ZINC000016982933	556195097	/nfs/dbraw/zinc/19/50/97/556195097.db2.gz	ARUQPJOIQVIMMV-QHCPKHFHSA-N	2	0	468.066	7.387	40	10		JKCBRP
CC[NH+](CC)CCC[C@@H](Cc1ccccc1)Nc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21	ZINC000017145637	556225696	/nfs/dbraw/zinc/22/56/96/556225696.db2.gz	JVSQUMDDANEUCM-QHCPKHFHSA-N	2	0	476.064	7.195	40	10		JKCBRP
CC[n+]1c2cc(N)ccc2c2ccc(NN=Nc3cccc(C(N)=[NH2+])c3)cc2c1-c1ccccc1	ZINC000004216649	194385010	/nfs/dbraw/zinc/38/50/10/194385010.db2.gz	UGKOYGZYLRKTJH-UHFFFAOYSA-O	2	0	460.565	5.944	40	10	in-man	JKCBRP
CC[NH+](CC)CCC[C@@H](Nc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21)c1ccc(F)cc1	ZINC000004415991	520633854	/nfs/dbraw/zinc/63/38/54/520633854.db2.gz	IUQXIOUBUALYAC-RUZDIDTESA-N	2	0	480.027	7.464	40	10		JKCBRP
CC[NH+](CC)CCC[C@@H](Nc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21)c1cccs1	ZINC000004748383	520633899	/nfs/dbraw/zinc/63/38/99/520633899.db2.gz	ARUQPJOIQVIMMV-HSZRJFAPSA-N	2	0	468.066	7.387	40	10		JKCBRP
CC[NH+](CC)CCC[C@@H](Nc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21)c1ccc(Cl)cc1	ZINC000004429030	520633726	/nfs/dbraw/zinc/63/37/26/520633726.db2.gz	MDPILQBVLXUFDI-RUZDIDTESA-N	2	0	496.482	7.979	40	10		JKCBRP
CC[NH+](CC)CCC[C@H](Cc1ccccc1)Nc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21	ZINC000004416725	520639719	/nfs/dbraw/zinc/63/97/19/520639719.db2.gz	JVSQUMDDANEUCM-HSZRJFAPSA-N	2	0	476.064	7.195	40	10		JKCBRP
CCOc1ccc2[nH+]c3cc(NN=C4C(=O)C(C)=CC(C[NH+](CC)CC)=C4C)ccc3c(N)c2c1	ZINC000005573694	521308143	/nfs/dbraw/zinc/30/81/43/521308143.db2.gz	ZYQXDYJKPNVUDL-QNEJGDQOSA-N	2	0	471.605	6.949	40	10		JKCBRP
CC[NH+](CC)CCC[C@H](Nc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21)c1ccc(Cl)cc1	ZINC000016982936	556195254	/nfs/dbraw/zinc/19/52/54/556195254.db2.gz	MDPILQBVLXUFDI-VWLOTQADSA-N	2	0	496.482	7.979	40	10		JKCBRP
Cc1cc(Nc2ccc(O)c(C[NH+]3CCCC3)c2)cc(Nc2ccc(O)c(C[NH+]3CCCC3)c2)[nH+]1	ZINC000031793051	556404733	/nfs/dbraw/zinc/40/47/33/556404733.db2.gz	FBXQFXAAWGJVKU-UHFFFAOYSA-N	3	0	473.621	5.480	40	10		JKCBRP
CCCC[NH+](CCCC)Cc1cc(Nc2c3ccc(Cl)cc3[nH+]c3ccc(OC)cc32)ccc1O	ZINC000004522639	194391511	/nfs/dbraw/zinc/39/15/11/194391511.db2.gz	QSYRCMJUJQFUQJ-UHFFFAOYSA-N	2	0	492.063	7.901	40	10		JKCBRP
CN1Cc2cc3cc(c2O)C[N+](C)(C)Cc2c(Cl)c(c(Cl)c(c2Cl)C[N+](C)(C)C3)C1	ZINC000001560263	553977992	/nfs/dbraw/zinc/97/79/92/553977992.db2.gz	UVCVKJTZVDKXPX-UHFFFAOYSA-O	2	0	470.872	5.164	40	10		JKCBRP
CC[NH+](CC)CCCCNc1ccc(NCCCC[NH+](CC)CC)c2c1C(=O)c1ccccc1C2=O	ZINC000005012924	554485411	/nfs/dbraw/zinc/48/54/11/554485411.db2.gz	QHAAVSYJJKHSSX-UHFFFAOYSA-N	2	0	492.708	5.530	40	10		JKCBRP
CC[NH+](CC)CCC[C@@H](Nc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21)c1ccncc1	ZINC000004366170	520632992	/nfs/dbraw/zinc/63/29/92/520632992.db2.gz	UWHHGPUJFLEBJQ-XMMPIXPASA-N	2	0	463.025	6.720	40	10		JKCBRP