smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1ccc2oc(N3CC[NH+](CCC[NH+]4CCCCC4)CC3)nc2c1	ZINC000160944425	239058637	/nfs/dbraw/zinc/05/86/37/239058637.db2.gz	WQXIMYUEKAVDKZ-UHFFFAOYSA-N	2	2	328.460	2.826	10	70		EFIELP
O=C1CCCN1CCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000159532821	225234951	/nfs/dbraw/zinc/23/49/51/225234951.db2.gz	XMNRQNHQRAAIPL-UHFFFAOYSA-N	2	2	349.906	2.907	10	70		EFIELP
C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cncc(F)c1	ZINC000160619169	473152301	/nfs/dbraw/zinc/15/23/01/473152301.db2.gz	PWNJJCJTRHXFJU-OAHLLOKOSA-N	2	2	329.419	2.904	10	70		EFIELP
O=C1CCCN1CCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1	ZINC000159499151	225229970	/nfs/dbraw/zinc/22/99/70/225229970.db2.gz	XNXZVPVLWKIDSN-UHFFFAOYSA-N	2	2	349.906	2.907	10	70		EFIELP
Cc1ccc(C(=O)CC[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1	ZINC000159553745	225238252	/nfs/dbraw/zinc/23/82/52/225238252.db2.gz	CPGPUKWHPHWKCJ-FQEVSTJZSA-N	2	2	343.515	2.670	10	70		EFIELP
Cc1ccc(C(=O)CC[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1	ZINC000159553745	225238257	/nfs/dbraw/zinc/23/82/57/225238257.db2.gz	CPGPUKWHPHWKCJ-FQEVSTJZSA-N	2	2	343.515	2.670	10	70		EFIELP
CN(CC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)Cc1ccc(F)cc1	ZINC000161201355	473217255	/nfs/dbraw/zinc/21/72/55/473217255.db2.gz	KQKBFRTXXPOIRQ-GOSISDBHSA-N	2	2	344.478	2.946	10	70		EFIELP
CN(CC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)Cc1ccc(F)cc1	ZINC000161201355	473217259	/nfs/dbraw/zinc/21/72/59/473217259.db2.gz	KQKBFRTXXPOIRQ-GOSISDBHSA-N	2	2	344.478	2.946	10	70		EFIELP
Cn1cc[nH+]c1C[C@H]1CCCN(CC[N@H+](C)Cc2ccc(F)cc2)C1	ZINC000161201355	473217264	/nfs/dbraw/zinc/21/72/64/473217264.db2.gz	KQKBFRTXXPOIRQ-GOSISDBHSA-N	2	2	344.478	2.946	10	70		EFIELP
Cn1cc[nH+]c1C[C@H]1CCCN(CC[N@@H+](C)Cc2ccc(F)cc2)C1	ZINC000161201355	473217268	/nfs/dbraw/zinc/21/72/68/473217268.db2.gz	KQKBFRTXXPOIRQ-GOSISDBHSA-N	2	2	344.478	2.946	10	70		EFIELP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1	ZINC000160025686	473081742	/nfs/dbraw/zinc/08/17/42/473081742.db2.gz	AUXRTWOXHKCKFS-GOSISDBHSA-N	2	2	346.519	2.941	10	70		EFIELP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC1CCN(C(=O)C(C)(C)C)CC1	ZINC000160025686	473081747	/nfs/dbraw/zinc/08/17/47/473081747.db2.gz	AUXRTWOXHKCKFS-GOSISDBHSA-N	2	2	346.519	2.941	10	70		EFIELP
Cc1ccc(-c2noc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)n2)cc1	ZINC000161355345	544813781	/nfs/dbraw/zinc/81/37/81/544813781.db2.gz	PKGCLUWXUABMMA-UHFFFAOYSA-N	2	2	335.411	2.762	10	70		EFIELP
O[C@@H](C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1cc(F)ccc1F	ZINC000160908751	473189553	/nfs/dbraw/zinc/18/95/53/473189553.db2.gz	ZNTZMFJHUANMCI-GUYCJALGSA-N	2	2	333.382	2.827	10	70		EFIELP
O[C@@H](C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1cc(F)ccc1F	ZINC000160908751	473189558	/nfs/dbraw/zinc/18/95/58/473189558.db2.gz	ZNTZMFJHUANMCI-GUYCJALGSA-N	2	2	333.382	2.827	10	70		EFIELP
Cn1c(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nnc1-c1ccccc1	ZINC000160910634	473190611	/nfs/dbraw/zinc/19/06/11/473190611.db2.gz	TUALFHLHKXMKOY-MRXNPFEDSA-N	2	2	348.454	2.811	10	70		EFIELP
Cn1c(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nnc1-c1ccccc1	ZINC000160910634	473190617	/nfs/dbraw/zinc/19/06/17/473190617.db2.gz	TUALFHLHKXMKOY-MRXNPFEDSA-N	2	2	348.454	2.811	10	70		EFIELP
O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1	ZINC000161377334	239069604	/nfs/dbraw/zinc/06/96/04/239069604.db2.gz	ZZNKNIYWTMUOIE-MSOLQXFVSA-N	2	2	344.503	2.560	10	70		EFIELP
O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1	ZINC000161377469	534594038	/nfs/dbraw/zinc/59/40/38/534594038.db2.gz	ZZNKNIYWTMUOIE-ZWKOTPCHSA-N	2	2	344.503	2.560	10	70		EFIELP
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1	ZINC000161354794	473228991	/nfs/dbraw/zinc/22/89/91/473228991.db2.gz	ADGXYWZXYWWUMG-MNEFBYGVSA-N	2	2	347.478	2.635	10	70		EFIELP
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1	ZINC000161354794	473228994	/nfs/dbraw/zinc/22/89/94/473228994.db2.gz	ADGXYWZXYWWUMG-MNEFBYGVSA-N	2	2	347.478	2.635	10	70		EFIELP
CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1	ZINC000161354794	473228996	/nfs/dbraw/zinc/22/89/96/473228996.db2.gz	ADGXYWZXYWWUMG-MNEFBYGVSA-N	2	2	347.478	2.635	10	70		EFIELP
CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1	ZINC000161354794	473228999	/nfs/dbraw/zinc/22/89/99/473228999.db2.gz	ADGXYWZXYWWUMG-MNEFBYGVSA-N	2	2	347.478	2.635	10	70		EFIELP
C[NH+](C)C1CC[NH+](CCNc2ccnc3c(F)cc(F)cc23)CC1	ZINC000159833692	473064646	/nfs/dbraw/zinc/06/46/46/473064646.db2.gz	DKONONXHACNKTQ-UHFFFAOYSA-N	2	2	334.414	2.951	10	70		EFIELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1	ZINC000160025556	473081222	/nfs/dbraw/zinc/08/12/22/473081222.db2.gz	AUXRTWOXHKCKFS-SFHVURJKSA-N	2	2	346.519	2.941	10	70		EFIELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC1CCN(C(=O)C(C)(C)C)CC1	ZINC000160025556	473081229	/nfs/dbraw/zinc/08/12/29/473081229.db2.gz	AUXRTWOXHKCKFS-SFHVURJKSA-N	2	2	346.519	2.941	10	70		EFIELP
CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1	ZINC000160999456	277388302	/nfs/dbraw/zinc/38/83/02/277388302.db2.gz	AIDLFGPGZNQRHJ-ZWKOTPCHSA-N	2	2	347.507	2.568	10	70		EFIELP
CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1	ZINC000160999456	277388303	/nfs/dbraw/zinc/38/83/03/277388303.db2.gz	AIDLFGPGZNQRHJ-ZWKOTPCHSA-N	2	2	347.507	2.568	10	70		EFIELP
CN(CC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)Cc1ccc(F)cc1	ZINC000161201187	473217509	/nfs/dbraw/zinc/21/75/09/473217509.db2.gz	KQKBFRTXXPOIRQ-SFHVURJKSA-N	2	2	344.478	2.946	10	70		EFIELP
CN(CC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)Cc1ccc(F)cc1	ZINC000161201187	473217510	/nfs/dbraw/zinc/21/75/10/473217510.db2.gz	KQKBFRTXXPOIRQ-SFHVURJKSA-N	2	2	344.478	2.946	10	70		EFIELP
Cn1cc[nH+]c1C[C@@H]1CCCN(CC[N@H+](C)Cc2ccc(F)cc2)C1	ZINC000161201187	473217513	/nfs/dbraw/zinc/21/75/13/473217513.db2.gz	KQKBFRTXXPOIRQ-SFHVURJKSA-N	2	2	344.478	2.946	10	70		EFIELP
Cn1cc[nH+]c1C[C@@H]1CCCN(CC[N@@H+](C)Cc2ccc(F)cc2)C1	ZINC000161201187	473217515	/nfs/dbraw/zinc/21/75/15/473217515.db2.gz	KQKBFRTXXPOIRQ-SFHVURJKSA-N	2	2	344.478	2.946	10	70		EFIELP
C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC[NH+]1CCCC1	ZINC000159665062	473049398	/nfs/dbraw/zinc/04/93/98/473049398.db2.gz	IIRQRGCFRJLSQR-QUCCMNQESA-N	3	2	330.520	2.758	10	70		EFIELP
C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC[NH+]1CCCC1	ZINC000159665062	473049406	/nfs/dbraw/zinc/04/94/06/473049406.db2.gz	IIRQRGCFRJLSQR-QUCCMNQESA-N	3	2	330.520	2.758	10	70		EFIELP
C[NH+]1CCN(c2ncc(C[N@H+]3CC=C(c4ccccc4)CC3)cn2)CC1	ZINC000159755995	473058287	/nfs/dbraw/zinc/05/82/87/473058287.db2.gz	ZCUXYCFVOJXXPS-UHFFFAOYSA-N	2	2	349.482	2.518	10	70		EFIELP
C[NH+]1CCN(c2ncc(C[N@@H+]3CC=C(c4ccccc4)CC3)cn2)CC1	ZINC000159755995	473058293	/nfs/dbraw/zinc/05/82/93/473058293.db2.gz	ZCUXYCFVOJXXPS-UHFFFAOYSA-N	2	2	349.482	2.518	10	70		EFIELP
O=C(CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccc(F)cc1	ZINC000160908317	473189979	/nfs/dbraw/zinc/18/99/79/473189979.db2.gz	INPIVAVXKCNVIL-OAHLLOKOSA-N	2	2	342.418	2.983	10	70		EFIELP
O=C(CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccc(F)cc1	ZINC000160908317	473189983	/nfs/dbraw/zinc/18/99/83/473189983.db2.gz	INPIVAVXKCNVIL-OAHLLOKOSA-N	2	2	342.418	2.983	10	70		EFIELP
Cn1c(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nnc1-c1ccccc1	ZINC000160910790	473190767	/nfs/dbraw/zinc/19/07/67/473190767.db2.gz	TUALFHLHKXMKOY-INIZCTEOSA-N	2	2	348.454	2.811	10	70		EFIELP
Cn1c(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nnc1-c1ccccc1	ZINC000160910790	473190771	/nfs/dbraw/zinc/19/07/71/473190771.db2.gz	TUALFHLHKXMKOY-INIZCTEOSA-N	2	2	348.454	2.811	10	70		EFIELP
O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1	ZINC000161377204	534594777	/nfs/dbraw/zinc/59/47/77/534594777.db2.gz	ZZNKNIYWTMUOIE-QZTJIDSGSA-N	2	2	344.503	2.560	10	70		EFIELP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCN(C)Cc1ccc(F)cc1	ZINC000160025344	473081251	/nfs/dbraw/zinc/08/12/51/473081251.db2.gz	ZQQYXXNLPXEGRL-LJQANCHMSA-N	2	2	330.451	2.927	10	70		EFIELP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCN(C)Cc1ccc(F)cc1	ZINC000160025344	473081259	/nfs/dbraw/zinc/08/12/59/473081259.db2.gz	ZQQYXXNLPXEGRL-LJQANCHMSA-N	2	2	330.451	2.927	10	70		EFIELP
Cc1[nH+]ccn1C[C@H]1CCCN1CC[N@@H+](C)Cc1ccc(F)cc1	ZINC000160025344	473081266	/nfs/dbraw/zinc/08/12/66/473081266.db2.gz	ZQQYXXNLPXEGRL-LJQANCHMSA-N	2	2	330.451	2.927	10	70		EFIELP
Cc1[nH+]ccn1C[C@H]1CCCN1CC[N@H+](C)Cc1ccc(F)cc1	ZINC000160025344	473081270	/nfs/dbraw/zinc/08/12/70/473081270.db2.gz	ZQQYXXNLPXEGRL-LJQANCHMSA-N	2	2	330.451	2.927	10	70		EFIELP
C[N@H+](Cc1ccc(Cl)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1	ZINC000160810235	473177657	/nfs/dbraw/zinc/17/76/57/473177657.db2.gz	RIDNBYHEVKCOFY-UHFFFAOYSA-N	2	2	345.878	2.514	10	70		EFIELP
C[N@@H+](Cc1ccc(Cl)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1	ZINC000160810235	473177662	/nfs/dbraw/zinc/17/76/62/473177662.db2.gz	RIDNBYHEVKCOFY-UHFFFAOYSA-N	2	2	345.878	2.514	10	70		EFIELP
C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC[NH+]1CCCC1	ZINC000159665205	524636301	/nfs/dbraw/zinc/63/63/01/524636301.db2.gz	IIRQRGCFRJLSQR-ICSRJNTNSA-N	3	2	330.520	2.758	10	70		EFIELP
C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC[NH+]1CCCC1	ZINC000159665205	524636313	/nfs/dbraw/zinc/63/63/13/524636313.db2.gz	IIRQRGCFRJLSQR-ICSRJNTNSA-N	3	2	330.520	2.758	10	70		EFIELP
O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1	ZINC000161377557	239069409	/nfs/dbraw/zinc/06/94/09/239069409.db2.gz	ZZNKNIYWTMUOIE-ROUUACIJSA-N	2	2	344.503	2.560	10	70		EFIELP
O[C@@H](C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1cc(F)ccc1F	ZINC000160908869	473190632	/nfs/dbraw/zinc/19/06/32/473190632.db2.gz	ZNTZMFJHUANMCI-DYVFJYSZSA-N	2	2	333.382	2.827	10	70		EFIELP
O[C@@H](C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1cc(F)ccc1F	ZINC000160908869	473190634	/nfs/dbraw/zinc/19/06/34/473190634.db2.gz	ZNTZMFJHUANMCI-DYVFJYSZSA-N	2	2	333.382	2.827	10	70		EFIELP
Cc1ccc(C(=O)CC[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1	ZINC000159553871	206251387	/nfs/dbraw/zinc/25/13/87/206251387.db2.gz	CPGPUKWHPHWKCJ-HXUWFJFHSA-N	2	2	343.515	2.670	10	70		EFIELP
Cc1ccc(C(=O)CC[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1	ZINC000159553871	206251390	/nfs/dbraw/zinc/25/13/90/206251390.db2.gz	CPGPUKWHPHWKCJ-HXUWFJFHSA-N	2	2	343.515	2.670	10	70		EFIELP
CC(C)(C)n1cc(C[NH+]2CCN(CCC[NH+]3CCCCC3)CC2)cn1	ZINC000160959850	544810030	/nfs/dbraw/zinc/81/00/30/544810030.db2.gz	GFRRHLWHDPYVBD-UHFFFAOYSA-N	2	2	347.551	2.632	10	70		EFIELP
Cc1cc(-c2nnc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)o2)c(C)o1	ZINC000161361680	544813684	/nfs/dbraw/zinc/81/36/84/544813684.db2.gz	JTVVMQHNXYJJED-UHFFFAOYSA-N	2	2	339.399	2.664	10	70		EFIELP
CC1(C)CC([NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC(C)(C)[NH2+]1	ZINC000159638930	473047454	/nfs/dbraw/zinc/04/74/54/473047454.db2.gz	IPJBTSVFQWDAQK-UHFFFAOYSA-N	3	2	330.520	2.945	10	70		EFIELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCN(C)Cc1ccc(F)cc1	ZINC000160025227	473081787	/nfs/dbraw/zinc/08/17/87/473081787.db2.gz	ZQQYXXNLPXEGRL-IBGZPJMESA-N	2	2	330.451	2.927	10	70		EFIELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCN(C)Cc1ccc(F)cc1	ZINC000160025227	473081793	/nfs/dbraw/zinc/08/17/93/473081793.db2.gz	ZQQYXXNLPXEGRL-IBGZPJMESA-N	2	2	330.451	2.927	10	70		EFIELP
Cc1[nH+]ccn1C[C@@H]1CCCN1CC[N@@H+](C)Cc1ccc(F)cc1	ZINC000160025227	473081799	/nfs/dbraw/zinc/08/17/99/473081799.db2.gz	ZQQYXXNLPXEGRL-IBGZPJMESA-N	2	2	330.451	2.927	10	70		EFIELP
Cc1[nH+]ccn1C[C@@H]1CCCN1CC[N@H+](C)Cc1ccc(F)cc1	ZINC000160025227	473081806	/nfs/dbraw/zinc/08/18/06/473081806.db2.gz	ZQQYXXNLPXEGRL-IBGZPJMESA-N	2	2	330.451	2.927	10	70		EFIELP
O=C(CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1ccc(F)cc1	ZINC000160908183	473189927	/nfs/dbraw/zinc/18/99/27/473189927.db2.gz	INPIVAVXKCNVIL-HNNXBMFYSA-N	2	2	342.418	2.983	10	70		EFIELP
O=C(CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1ccc(F)cc1	ZINC000160908183	473189931	/nfs/dbraw/zinc/18/99/31/473189931.db2.gz	INPIVAVXKCNVIL-HNNXBMFYSA-N	2	2	342.418	2.983	10	70		EFIELP