smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](CC(N)=O)[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000161349818 524419235 /nfs/dbraw/zinc/41/92/35/524419235.db2.gz ZGQNAJLAYOMGSO-DZGCQCFKSA-N 2 2 275.396 1.157 10 70 CDIELP C[C@@H](CC(N)=O)[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000161349818 524419244 /nfs/dbraw/zinc/41/92/44/524419244.db2.gz ZGQNAJLAYOMGSO-DZGCQCFKSA-N 2 2 275.396 1.157 10 70 CDIELP CC[C@@H](CO)[NH+]1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000160851093 358775467 /nfs/dbraw/zinc/77/54/67/358775467.db2.gz LSVNDZHXSASFGJ-AWEZNQCLSA-N 2 2 288.395 1.223 10 70 CDIELP CCC[C@@H](C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)[NH+](C)C ZINC000161385230 377613482 /nfs/dbraw/zinc/61/34/82/377613482.db2.gz DZNHKDHOBZWOMU-LSDHHAIUSA-N 2 2 299.459 1.190 10 70 CDIELP CCC[C@H](C(=O)N1CC[N@@H+](CCOCC)[C@H](C)C1)[NH+](C)C ZINC000160883525 362193560 /nfs/dbraw/zinc/19/35/60/362193560.db2.gz MYKGOGTZPDCFTM-HUUCEWRRSA-N 2 2 299.459 1.286 10 70 CDIELP CCC[C@@H](C(=O)N1CC[N@@H+](CCOCC)[C@H](C)C1)[NH+](C)C ZINC000160883385 362192698 /nfs/dbraw/zinc/19/26/98/362192698.db2.gz MYKGOGTZPDCFTM-CABCVRRESA-N 2 2 299.459 1.286 10 70 CDIELP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000161350202 524086053 /nfs/dbraw/zinc/08/60/53/524086053.db2.gz ZGQNAJLAYOMGSO-HIFRSBDPSA-N 2 2 275.396 1.157 10 70 CDIELP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000161350202 524086055 /nfs/dbraw/zinc/08/60/55/524086055.db2.gz ZGQNAJLAYOMGSO-HIFRSBDPSA-N 2 2 275.396 1.157 10 70 CDIELP CCC[C@@H](C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)[NH+](C)C ZINC000161385034 377614436 /nfs/dbraw/zinc/61/44/36/377614436.db2.gz DZNHKDHOBZWOMU-GJZGRUSLSA-N 2 2 299.459 1.190 10 70 CDIELP c1cn(CC[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c[nH+]1 ZINC000159857132 361883414 /nfs/dbraw/zinc/88/34/14/361883414.db2.gz DMKOHTUQLJQYJG-OAHLLOKOSA-N 2 2 278.400 1.070 10 70 CDIELP c1cn(CC[N@H+]2CCCC[C@@H]2CN2CCOCC2)c[nH+]1 ZINC000159857132 361883420 /nfs/dbraw/zinc/88/34/20/361883420.db2.gz DMKOHTUQLJQYJG-OAHLLOKOSA-N 2 2 278.400 1.070 10 70 CDIELP CCc1nnc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)[nH]1 ZINC000160147578 362039759 /nfs/dbraw/zinc/03/97/59/362039759.db2.gz RDQSLKWZHHZBEO-GFCCVEGCSA-N 2 2 288.399 1.555 10 70 CDIELP CCc1nnc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)[nH]1 ZINC000160147578 362039763 /nfs/dbraw/zinc/03/97/63/362039763.db2.gz RDQSLKWZHHZBEO-GFCCVEGCSA-N 2 2 288.399 1.555 10 70 CDIELP CC[C@](C)(O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000161425118 523494559 /nfs/dbraw/zinc/49/45/59/523494559.db2.gz IPXWTGWIASLQPB-KGLIPLIRSA-N 2 2 251.374 1.817 10 70 CDIELP CC[C@](C)(O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000161425118 523494568 /nfs/dbraw/zinc/49/45/68/523494568.db2.gz IPXWTGWIASLQPB-KGLIPLIRSA-N 2 2 251.374 1.817 10 70 CDIELP c1ccc(NC[C@H]2CC[N@H+](C[C@@H]3CCCO3)C2)[nH+]c1 ZINC000160905380 275067930 /nfs/dbraw/zinc/06/79/30/275067930.db2.gz SZCGFRWCLAVNHF-KGLIPLIRSA-N 2 2 261.369 1.994 10 70 CDIELP c1ccc(NC[C@H]2CC[N@@H+](C[C@@H]3CCCO3)C2)[nH+]c1 ZINC000160905380 275067931 /nfs/dbraw/zinc/06/79/31/275067931.db2.gz SZCGFRWCLAVNHF-KGLIPLIRSA-N 2 2 261.369 1.994 10 70 CDIELP CCC(C)(C)NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161390788 539117582 /nfs/dbraw/zinc/11/75/82/539117582.db2.gz QMRBFYPQDDWSFT-UHFFFAOYSA-N 2 2 290.411 1.508 10 70 CDIELP CC(C)(O)C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000160657020 519361644 /nfs/dbraw/zinc/36/16/44/519361644.db2.gz OQSCVQUUQDWWMP-UHFFFAOYSA-N 2 2 263.385 1.407 10 70 CDIELP CC(=O)NC1CCC([NH2+][C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000161455699 278088854 /nfs/dbraw/zinc/08/88/54/278088854.db2.gz OADYFTRFJKXANW-GPANFISMSA-N 2 2 283.460 2.000 10 70 CDIELP CC[C@H](O)C[NH+]1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000160486837 522816890 /nfs/dbraw/zinc/81/68/90/522816890.db2.gz VEVSUTZWENWLLZ-HNNXBMFYSA-N 2 2 288.395 1.223 10 70 CDIELP C[C@@H](O)C[N@@H+]1CCN(Cc2c[nH+]c3ccccn23)C[C@H]1C ZINC000159939940 361955460 /nfs/dbraw/zinc/95/54/60/361955460.db2.gz CAUZUIIBLBLWMO-ZIAGYGMSSA-N 2 2 288.395 1.221 10 70 CDIELP C[C@@H](O)C[N@H+]1CCN(Cc2c[nH+]c3ccccn23)C[C@H]1C ZINC000159939940 361955466 /nfs/dbraw/zinc/95/54/66/361955466.db2.gz CAUZUIIBLBLWMO-ZIAGYGMSSA-N 2 2 288.395 1.221 10 70 CDIELP Cc1nc(NCCc2c[nH]c[nH+]2)cc(C2CC([NH3+])C2)n1 ZINC000218150799 359044392 /nfs/dbraw/zinc/04/43/92/359044392.db2.gz KKPSBIBUKBZOIF-UHFFFAOYSA-N 2 2 272.356 1.367 10 70 CDIELP Cc1nc(NCCc2c[nH+]c[nH]2)cc(C2CC([NH3+])C2)n1 ZINC000218150799 359044398 /nfs/dbraw/zinc/04/43/98/359044398.db2.gz KKPSBIBUKBZOIF-UHFFFAOYSA-N 2 2 272.356 1.367 10 70 CDIELP C[N@H+](CCC[NH+]1CCCCC1)CC(=O)NC(C)(C)C ZINC000161258104 522750800 /nfs/dbraw/zinc/75/08/00/522750800.db2.gz VXYJEVJBAQXVDP-UHFFFAOYSA-N 2 2 269.433 1.709 10 70 CDIELP C[N@@H+](CCC[NH+]1CCCCC1)CC(=O)NC(C)(C)C ZINC000161258104 522750810 /nfs/dbraw/zinc/75/08/10/522750810.db2.gz VXYJEVJBAQXVDP-UHFFFAOYSA-N 2 2 269.433 1.709 10 70 CDIELP CC(=O)NC1CCC([NH2+]CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000161287774 519645192 /nfs/dbraw/zinc/64/51/92/519645192.db2.gz FWIQSERDPIATKV-IUDNXUCKSA-N 2 2 281.444 1.898 10 70 CDIELP CC(=O)NC1CCC([NH2+]CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000161287774 519645193 /nfs/dbraw/zinc/64/51/93/519645193.db2.gz FWIQSERDPIATKV-IUDNXUCKSA-N 2 2 281.444 1.898 10 70 CDIELP C[C@@H](O)C[N@@H+]1CCN(Cc2c[nH+]c3ccccn23)C[C@@H]1C ZINC000159940067 361955390 /nfs/dbraw/zinc/95/53/90/361955390.db2.gz CAUZUIIBLBLWMO-UONOGXRCSA-N 2 2 288.395 1.221 10 70 CDIELP C[C@@H](O)C[N@H+]1CCN(Cc2c[nH+]c3ccccn23)C[C@@H]1C ZINC000159940067 361955394 /nfs/dbraw/zinc/95/53/94/361955394.db2.gz CAUZUIIBLBLWMO-UONOGXRCSA-N 2 2 288.395 1.221 10 70 CDIELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(OC)OC)C1 ZINC000160979781 522600493 /nfs/dbraw/zinc/60/04/93/522600493.db2.gz YJCNZXQSZHKGRB-LBPRGKRZSA-N 2 2 267.373 1.701 10 70 CDIELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(OC)OC)C1 ZINC000160979781 522600503 /nfs/dbraw/zinc/60/05/03/522600503.db2.gz YJCNZXQSZHKGRB-LBPRGKRZSA-N 2 2 267.373 1.701 10 70 CDIELP CC[C@@](C)(O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000161425233 523662827 /nfs/dbraw/zinc/66/28/27/523662827.db2.gz IPXWTGWIASLQPB-ZIAGYGMSSA-N 2 2 251.374 1.817 10 70 CDIELP CC[C@@](C)(O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000161425233 523662831 /nfs/dbraw/zinc/66/28/31/523662831.db2.gz IPXWTGWIASLQPB-ZIAGYGMSSA-N 2 2 251.374 1.817 10 70 CDIELP CCc1nnc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)[nH]1 ZINC000160147668 362039426 /nfs/dbraw/zinc/03/94/26/362039426.db2.gz RDQSLKWZHHZBEO-LBPRGKRZSA-N 2 2 288.399 1.555 10 70 CDIELP CCc1nnc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)[nH]1 ZINC000160147668 362039430 /nfs/dbraw/zinc/03/94/30/362039430.db2.gz RDQSLKWZHHZBEO-LBPRGKRZSA-N 2 2 288.399 1.555 10 70 CDIELP CCC[C@H](C(=O)NCCCn1cc[nH+]c1)[NH+](C)C ZINC000161161857 364456670 /nfs/dbraw/zinc/45/66/70/364456670.db2.gz YKDPNPPOYMZMOA-GFCCVEGCSA-N 2 2 252.362 1.120 10 70 CDIELP Cn1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cn1 ZINC000160909999 527206874 /nfs/dbraw/zinc/20/68/74/527206874.db2.gz RJKJNKTWLXTYEU-ZDUSSCGKSA-N 2 2 271.368 1.749 10 70 CDIELP Cn1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cn1 ZINC000160909999 527206877 /nfs/dbraw/zinc/20/68/77/527206877.db2.gz RJKJNKTWLXTYEU-ZDUSSCGKSA-N 2 2 271.368 1.749 10 70 CDIELP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159646753 361760018 /nfs/dbraw/zinc/76/00/18/361760018.db2.gz WOYFIJCQKOTEBO-GASCZTMLSA-N 2 2 296.374 1.839 10 70 CDIELP Cc1c[nH+]ccc1NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000160517254 362440007 /nfs/dbraw/zinc/44/00/07/362440007.db2.gz WWOQEDRKCWSRJF-DETPVDSQSA-N 2 2 289.379 1.861 10 70 CDIELP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CC2(C)C)CC1 ZINC000160912574 362208243 /nfs/dbraw/zinc/20/82/43/362208243.db2.gz PSOFDYMBRDFFOA-ZDUSSCGKSA-N 2 2 267.417 1.175 10 70 CDIELP CC[N@@H+]1CCO[C@@H](CNc2[nH+]c3ccccc3n2C)C1 ZINC000161083884 539117245 /nfs/dbraw/zinc/11/72/45/539117245.db2.gz FDZZXAUYFWJJFD-LBPRGKRZSA-N 2 2 274.368 1.706 10 70 CDIELP CC[N@H+]1CCO[C@@H](CNc2[nH+]c3ccccc3n2C)C1 ZINC000161083884 539117246 /nfs/dbraw/zinc/11/72/46/539117246.db2.gz FDZZXAUYFWJJFD-LBPRGKRZSA-N 2 2 274.368 1.706 10 70 CDIELP CC[C@H](CO)[NH+]1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000160851205 358775006 /nfs/dbraw/zinc/77/50/06/358775006.db2.gz LSVNDZHXSASFGJ-CQSZACIVSA-N 2 2 288.395 1.223 10 70 CDIELP CCC[C@H](C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)[NH+](C)C ZINC000161385135 377614180 /nfs/dbraw/zinc/61/41/80/377614180.db2.gz DZNHKDHOBZWOMU-CABCVRRESA-N 2 2 299.459 1.190 10 70 CDIELP COCC[N@@H+]1CCN(Cc2c[nH+]c3ccccn23)C[C@H]1C ZINC000159949261 361960989 /nfs/dbraw/zinc/96/09/89/361960989.db2.gz GVVBKWVYYXIZDV-CQSZACIVSA-N 2 2 288.395 1.487 10 70 CDIELP COCC[N@H+]1CCN(Cc2c[nH+]c3ccccn23)C[C@H]1C ZINC000159949261 361960995 /nfs/dbraw/zinc/96/09/95/361960995.db2.gz GVVBKWVYYXIZDV-CQSZACIVSA-N 2 2 288.395 1.487 10 70 CDIELP CCC[C@@H](C(=O)NCCc1cn2ccccc2[nH+]1)[NH+](C)C ZINC000161382753 364486185 /nfs/dbraw/zinc/48/61/85/364486185.db2.gz HFPJAPCTYVWRJY-AWEZNQCLSA-N 2 2 288.395 1.723 10 70 CDIELP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000217548803 140164046 /nfs/dbraw/zinc/16/40/46/140164046.db2.gz YEWXHDJBFHPRSL-STQMWFEESA-N 2 2 293.386 1.674 10 70 CDIELP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000217548803 140164047 /nfs/dbraw/zinc/16/40/47/140164047.db2.gz YEWXHDJBFHPRSL-STQMWFEESA-N 2 2 293.386 1.674 10 70 CDIELP C[C@@H]1CN(CCC[NH+]2CCCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000161468761 524946518 /nfs/dbraw/zinc/94/65/18/524946518.db2.gz FKAADFCECAUUST-SJORKVTESA-N 2 2 295.471 1.515 10 70 CDIELP CCC[C@@H](C(=O)NCCCn1cc[nH+]c1)[NH+](C)C ZINC000161161753 188511978 /nfs/dbraw/zinc/51/19/78/188511978.db2.gz YKDPNPPOYMZMOA-LBPRGKRZSA-N 2 2 252.362 1.120 10 70 CDIELP C[NH2+]CC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000161268005 362358911 /nfs/dbraw/zinc/35/89/11/362358911.db2.gz GCDPSGDLIMQATM-UHFFFAOYSA-N 2 2 261.138 1.897 10 70 CDIELP CCC[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+](C)C ZINC000161190241 364461146 /nfs/dbraw/zinc/46/11/46/364461146.db2.gz MHMFTRUDIDPYJI-AWEZNQCLSA-N 2 2 290.411 1.461 10 70 CDIELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000159707217 362360635 /nfs/dbraw/zinc/36/06/35/362360635.db2.gz KMXWYPNTOKWDDC-ZIAGYGMSSA-N 2 2 288.395 1.142 10 70 CDIELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000159707217 362360638 /nfs/dbraw/zinc/36/06/38/362360638.db2.gz KMXWYPNTOKWDDC-ZIAGYGMSSA-N 2 2 288.395 1.142 10 70 CDIELP COCC[N@@H+]1CCN(Cc2c[nH+]c3ccccn23)C[C@@H]1C ZINC000159949387 361962427 /nfs/dbraw/zinc/96/24/27/361962427.db2.gz GVVBKWVYYXIZDV-AWEZNQCLSA-N 2 2 288.395 1.487 10 70 CDIELP COCC[N@H+]1CCN(Cc2c[nH+]c3ccccn23)C[C@@H]1C ZINC000159949387 361962431 /nfs/dbraw/zinc/96/24/31/361962431.db2.gz GVVBKWVYYXIZDV-AWEZNQCLSA-N 2 2 288.395 1.487 10 70 CDIELP CC[N@@H+]1CCO[C@H](CNc2[nH+]c3ccccc3n2C)C1 ZINC000161083768 539117317 /nfs/dbraw/zinc/11/73/17/539117317.db2.gz FDZZXAUYFWJJFD-GFCCVEGCSA-N 2 2 274.368 1.706 10 70 CDIELP CC[N@H+]1CCO[C@H](CNc2[nH+]c3ccccc3n2C)C1 ZINC000161083768 539117318 /nfs/dbraw/zinc/11/73/18/539117318.db2.gz FDZZXAUYFWJJFD-GFCCVEGCSA-N 2 2 274.368 1.706 10 70 CDIELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(OC)OC)C1 ZINC000160979699 358781893 /nfs/dbraw/zinc/78/18/93/358781893.db2.gz YJCNZXQSZHKGRB-GFCCVEGCSA-N 2 2 267.373 1.701 10 70 CDIELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(OC)OC)C1 ZINC000160979699 358781898 /nfs/dbraw/zinc/78/18/98/358781898.db2.gz YJCNZXQSZHKGRB-GFCCVEGCSA-N 2 2 267.373 1.701 10 70 CDIELP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(CC(F)F)CC1 ZINC000161509264 523847121 /nfs/dbraw/zinc/84/71/21/523847121.db2.gz MZLQHBNXBYNRCE-LBPRGKRZSA-N 2 2 261.360 1.353 10 70 CDIELP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(CC(F)F)CC1 ZINC000161509264 523847125 /nfs/dbraw/zinc/84/71/25/523847125.db2.gz MZLQHBNXBYNRCE-LBPRGKRZSA-N 2 2 261.360 1.353 10 70 CDIELP c1ccc(NC[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C2)[nH+]c1 ZINC000160905245 526483750 /nfs/dbraw/zinc/48/37/50/526483750.db2.gz SZCGFRWCLAVNHF-KBPBESRZSA-N 2 2 261.369 1.994 10 70 CDIELP c1ccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C2)[nH+]c1 ZINC000160905245 526483751 /nfs/dbraw/zinc/48/37/51/526483751.db2.gz SZCGFRWCLAVNHF-KBPBESRZSA-N 2 2 261.369 1.994 10 70 CDIELP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000159707341 275009082 /nfs/dbraw/zinc/00/90/82/275009082.db2.gz KMXWYPNTOKWDDC-UONOGXRCSA-N 2 2 288.395 1.142 10 70 CDIELP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000159707341 275009083 /nfs/dbraw/zinc/00/90/83/275009083.db2.gz KMXWYPNTOKWDDC-UONOGXRCSA-N 2 2 288.395 1.142 10 70 CDIELP CC[N@@H+]1CCO[C@H](CNc2[nH]c3ccccc3[nH+]2)C1 ZINC000161084062 539117216 /nfs/dbraw/zinc/11/72/16/539117216.db2.gz VAABBCFCNNLRLV-LLVKDONJSA-N 2 2 260.341 1.696 10 70 CDIELP CC[N@H+]1CCO[C@H](CNc2[nH]c3ccccc3[nH+]2)C1 ZINC000161084062 539117217 /nfs/dbraw/zinc/11/72/17/539117217.db2.gz VAABBCFCNNLRLV-LLVKDONJSA-N 2 2 260.341 1.696 10 70 CDIELP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000159421973 361693535 /nfs/dbraw/zinc/69/35/35/361693535.db2.gz WWHDLNSOHBYAJO-MRXNPFEDSA-N 2 2 287.407 1.601 10 70 CDIELP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000159421973 361693537 /nfs/dbraw/zinc/69/35/37/361693537.db2.gz WWHDLNSOHBYAJO-MRXNPFEDSA-N 2 2 287.407 1.601 10 70 CDIELP CCC[C@H](C(=O)NCCc1cn2ccccc2[nH+]1)[NH+](C)C ZINC000161382853 364485819 /nfs/dbraw/zinc/48/58/19/364485819.db2.gz HFPJAPCTYVWRJY-CQSZACIVSA-N 2 2 288.395 1.723 10 70 CDIELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nncn3C)C2)[nH+]1 ZINC000160915476 362209144 /nfs/dbraw/zinc/20/91/44/362209144.db2.gz KCUHNYFLTCZARW-ZDUSSCGKSA-N 2 2 286.383 1.453 10 70 CDIELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nncn3C)C2)[nH+]1 ZINC000160915476 362209146 /nfs/dbraw/zinc/20/91/46/362209146.db2.gz KCUHNYFLTCZARW-ZDUSSCGKSA-N 2 2 286.383 1.453 10 70 CDIELP CCC(=O)N[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000160757357 528420658 /nfs/dbraw/zinc/42/06/58/528420658.db2.gz KVHQHIDYHQGBJF-HNNXBMFYSA-N 2 2 281.444 1.853 10 70 CDIELP CCC(=O)N[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000160757357 528420663 /nfs/dbraw/zinc/42/06/63/528420663.db2.gz KVHQHIDYHQGBJF-HNNXBMFYSA-N 2 2 281.444 1.853 10 70 CDIELP Cc1cc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cc[nH+]1 ZINC000160648479 525238706 /nfs/dbraw/zinc/23/87/06/525238706.db2.gz OFZONQSPUQEBNV-HEHGZKQESA-N 2 2 289.379 1.861 10 70 CDIELP CC[N@@H+]1CCO[C@@H](CNc2[nH]c3ccccc3[nH+]2)C1 ZINC000161084188 539117177 /nfs/dbraw/zinc/11/71/77/539117177.db2.gz VAABBCFCNNLRLV-NSHDSACASA-N 2 2 260.341 1.696 10 70 CDIELP CC[N@H+]1CCO[C@@H](CNc2[nH]c3ccccc3[nH+]2)C1 ZINC000161084188 539117178 /nfs/dbraw/zinc/11/71/78/539117178.db2.gz VAABBCFCNNLRLV-NSHDSACASA-N 2 2 260.341 1.696 10 70 CDIELP CC(=O)Nc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000160359841 362416471 /nfs/dbraw/zinc/41/64/71/362416471.db2.gz BUNDGXUGWBLEEN-AWEZNQCLSA-N 2 2 261.369 1.829 10 70 CDIELP CC(=O)Nc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000160359841 362416478 /nfs/dbraw/zinc/41/64/78/362416478.db2.gz BUNDGXUGWBLEEN-AWEZNQCLSA-N 2 2 261.369 1.829 10 70 CDIELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nncn3C)C2)[nH+]1 ZINC000160915580 362209230 /nfs/dbraw/zinc/20/92/30/362209230.db2.gz KCUHNYFLTCZARW-CYBMUJFWSA-N 2 2 286.383 1.453 10 70 CDIELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nncn3C)C2)[nH+]1 ZINC000160915580 362209237 /nfs/dbraw/zinc/20/92/37/362209237.db2.gz KCUHNYFLTCZARW-CYBMUJFWSA-N 2 2 286.383 1.453 10 70 CDIELP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000217548717 140162738 /nfs/dbraw/zinc/16/27/38/140162738.db2.gz YEWXHDJBFHPRSL-OLZOCXBDSA-N 2 2 293.386 1.674 10 70 CDIELP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000217548717 140162740 /nfs/dbraw/zinc/16/27/40/140162740.db2.gz YEWXHDJBFHPRSL-OLZOCXBDSA-N 2 2 293.386 1.674 10 70 CDIELP c1cn(CC[N@@H+]2CCCC[C@H]2CN2CCOCC2)c[nH+]1 ZINC000159857277 361882941 /nfs/dbraw/zinc/88/29/41/361882941.db2.gz DMKOHTUQLJQYJG-HNNXBMFYSA-N 2 2 278.400 1.070 10 70 CDIELP c1cn(CC[N@H+]2CCCC[C@H]2CN2CCOCC2)c[nH+]1 ZINC000159857277 361882951 /nfs/dbraw/zinc/88/29/51/361882951.db2.gz DMKOHTUQLJQYJG-HNNXBMFYSA-N 2 2 278.400 1.070 10 70 CDIELP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(F)cc(Cl)c1 ZINC000161133201 361882845 /nfs/dbraw/zinc/88/28/45/361882845.db2.gz SZLJFUIRGXZVBL-UHFFFAOYSA-N 2 2 299.777 1.343 10 70 CDIELP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(F)cc(Cl)c1 ZINC000161133201 361882849 /nfs/dbraw/zinc/88/28/49/361882849.db2.gz SZLJFUIRGXZVBL-UHFFFAOYSA-N 2 2 299.777 1.343 10 70 CDIELP CC(C)(C)NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161309165 539117564 /nfs/dbraw/zinc/11/75/64/539117564.db2.gz JIBUASPTFDLAEG-UHFFFAOYSA-N 2 2 276.384 1.118 10 70 CDIELP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000159858635 364274795 /nfs/dbraw/zinc/27/47/95/364274795.db2.gz VYTSCJNALNLEPP-ZDUSSCGKSA-N 2 2 294.399 1.872 10 70 CDIELP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000159858635 364274802 /nfs/dbraw/zinc/27/48/02/364274802.db2.gz VYTSCJNALNLEPP-ZDUSSCGKSA-N 2 2 294.399 1.872 10 70 CDIELP Cc1c[nH+]ccc1NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160516976 392506272 /nfs/dbraw/zinc/50/62/72/392506272.db2.gz WWOQEDRKCWSRJF-PVXIVEMSSA-N 2 2 289.379 1.861 10 70 CDIELP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(CC(F)F)CC1 ZINC000161509149 523823301 /nfs/dbraw/zinc/82/33/01/523823301.db2.gz MZLQHBNXBYNRCE-GFCCVEGCSA-N 2 2 261.360 1.353 10 70 CDIELP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(CC(F)F)CC1 ZINC000161509149 523823308 /nfs/dbraw/zinc/82/33/08/523823308.db2.gz MZLQHBNXBYNRCE-GFCCVEGCSA-N 2 2 261.360 1.353 10 70 CDIELP CCC[C@H](C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)[NH+](C)C ZINC000161385371 377613135 /nfs/dbraw/zinc/61/31/35/377613135.db2.gz DZNHKDHOBZWOMU-HUUCEWRRSA-N 2 2 299.459 1.190 10 70 CDIELP C[C@H]1CN(CCC[NH+]2CCCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000161468883 524588593 /nfs/dbraw/zinc/58/85/93/524588593.db2.gz FKAADFCECAUUST-IRXDYDNUSA-N 2 2 295.471 1.515 10 70 CDIELP CC[C@@H](O)C[NH+]1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000160486944 522999822 /nfs/dbraw/zinc/99/98/22/522999822.db2.gz VEVSUTZWENWLLZ-OAHLLOKOSA-N 2 2 288.395 1.223 10 70 CDIELP C[C@@H](CC(N)=O)[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000161350083 524419260 /nfs/dbraw/zinc/41/92/60/524419260.db2.gz ZGQNAJLAYOMGSO-ZFWWWQNUSA-N 2 2 275.396 1.157 10 70 CDIELP C[C@@H](CC(N)=O)[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000161350083 524419269 /nfs/dbraw/zinc/41/92/69/524419269.db2.gz ZGQNAJLAYOMGSO-ZFWWWQNUSA-N 2 2 275.396 1.157 10 70 CDIELP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000160982138 346993681 /nfs/dbraw/zinc/99/36/81/346993681.db2.gz MRJQCENVGNENOQ-LBPRGKRZSA-N 2 2 264.417 1.729 10 70 CDIELP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000160982138 346993684 /nfs/dbraw/zinc/99/36/84/346993684.db2.gz MRJQCENVGNENOQ-LBPRGKRZSA-N 2 2 264.417 1.729 10 70 CDIELP CCC[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+](C)C ZINC000161190338 364461363 /nfs/dbraw/zinc/46/13/63/364461363.db2.gz MHMFTRUDIDPYJI-CQSZACIVSA-N 2 2 290.411 1.461 10 70 CDIELP Cc1cc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cc[nH+]1 ZINC000160648230 525238411 /nfs/dbraw/zinc/23/84/11/525238411.db2.gz OFZONQSPUQEBNV-DVOMOZLQSA-N 2 2 289.379 1.861 10 70 CDIELP CC(=O)NC1CCC([NH2+][C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000161455828 519645780 /nfs/dbraw/zinc/64/57/80/519645780.db2.gz OADYFTRFJKXANW-UYSNPLJNSA-N 2 2 283.460 2.000 10 70 CDIELP Cn1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cn1 ZINC000160909886 527205044 /nfs/dbraw/zinc/20/50/44/527205044.db2.gz RJKJNKTWLXTYEU-CYBMUJFWSA-N 2 2 271.368 1.749 10 70 CDIELP Cn1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cn1 ZINC000160909886 527205051 /nfs/dbraw/zinc/20/50/51/527205051.db2.gz RJKJNKTWLXTYEU-CYBMUJFWSA-N 2 2 271.368 1.749 10 70 CDIELP CC(=O)NC1CCC([NH2+]CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000161287882 391586621 /nfs/dbraw/zinc/58/66/21/391586621.db2.gz FWIQSERDPIATKV-JEYLPNPQSA-N 2 2 281.444 1.898 10 70 CDIELP CC(=O)NC1CCC([NH2+]CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000161287882 391586622 /nfs/dbraw/zinc/58/66/22/391586622.db2.gz FWIQSERDPIATKV-JEYLPNPQSA-N 2 2 281.444 1.898 10 70 CDIELP