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)C1(Cc2cc(C[N@H+](C)Cc3ccccc3)on2)COC1 ZINC000067898090 202039054 /nfs/dbraw/zinc/03/90/54/202039054.db2.gz WLTRUYSKALSSRF-UHFFFAOYSA-N 2 2 343.471 2.960 40 0 biogenic,in-vitro EFABLP CC[NH+](CC)C1(Cc2cc(C[N@@H+](C)Cc3ccccc3)on2)COC1 ZINC000067898090 202039058 /nfs/dbraw/zinc/03/90/58/202039058.db2.gz WLTRUYSKALSSRF-UHFFFAOYSA-N 2 2 343.471 2.960 40 0 biogenic,in-vitro EFABLP COc1ccccc1C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CCOC1 ZINC000036740326 202331099 /nfs/dbraw/zinc/33/10/99/202331099.db2.gz QNRSXRZQERTLCZ-QGZVFWFLSA-N 2 2 329.444 2.821 40 0 EFABLP COc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CCOC1 ZINC000036740326 202331100 /nfs/dbraw/zinc/33/11/00/202331100.db2.gz QNRSXRZQERTLCZ-QGZVFWFLSA-N 2 2 329.444 2.821 40 0 EFABLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC000076387731 202387279 /nfs/dbraw/zinc/38/72/79/202387279.db2.gz CZVSGWYSUOBCKO-GOSISDBHSA-N 2 2 340.471 2.786 40 0 EFABLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC000076387731 202387284 /nfs/dbraw/zinc/38/72/84/202387284.db2.gz CZVSGWYSUOBCKO-GOSISDBHSA-N 2 2 340.471 2.786 40 0 EFABLP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+](CC(C)C)CCN3C(C)(C)C2)cc1 ZINC000253399863 201186360 /nfs/dbraw/zinc/18/63/60/201186360.db2.gz KBXBGSJIBOCERN-IBGZPJMESA-N 2 2 345.531 2.932 40 0 biogenic,in-vitro EFABLP COc1ccc(C[N@H+]2C[C@@H]3C[NH+](CC(C)C)CCN3C(C)(C)C2)cc1 ZINC000253399863 201186363 /nfs/dbraw/zinc/18/63/63/201186363.db2.gz KBXBGSJIBOCERN-IBGZPJMESA-N 2 2 345.531 2.932 40 0 biogenic,in-vitro EFABLP COc1ccc(C[NH+]2C[C@@H]3C[N@H+](CC(C)C)CCN3C(C)(C)C2)cc1 ZINC000253399863 201186366 /nfs/dbraw/zinc/18/63/66/201186366.db2.gz KBXBGSJIBOCERN-IBGZPJMESA-N 2 2 345.531 2.932 40 0 biogenic,in-vitro EFABLP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+](CC(C)C)CCN3C(C)(C)C2)cc1 ZINC000253399863 201186369 /nfs/dbraw/zinc/18/63/69/201186369.db2.gz KBXBGSJIBOCERN-IBGZPJMESA-N 2 2 345.531 2.932 40 0 biogenic,in-vitro EFABLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000330032896 201363586 /nfs/dbraw/zinc/36/35/86/201363586.db2.gz UAFWRUVIBPKRQZ-VQIMIIECSA-N 2 2 340.471 2.828 40 0 EFABLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000330032896 201363590 /nfs/dbraw/zinc/36/35/90/201363590.db2.gz UAFWRUVIBPKRQZ-VQIMIIECSA-N 2 2 340.471 2.828 40 0 EFABLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000330032896 201363592 /nfs/dbraw/zinc/36/35/92/201363592.db2.gz UAFWRUVIBPKRQZ-VQIMIIECSA-N 2 2 340.471 2.828 40 0 EFABLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000330032896 201363595 /nfs/dbraw/zinc/36/35/95/201363595.db2.gz UAFWRUVIBPKRQZ-VQIMIIECSA-N 2 2 340.471 2.828 40 0 EFABLP Cc1cc(NCc2c[nH+]cn2C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000191679273 239248750 /nfs/dbraw/zinc/24/87/50/239248750.db2.gz JFOHZIVSAHAOOW-UHFFFAOYSA-N 2 2 327.476 2.871 40 0 EFABLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2COc3ccccc3C2)CC1 ZINC000195556413 241004099 /nfs/dbraw/zinc/00/40/99/241004099.db2.gz CUZUANDLKFMEMY-HNNXBMFYSA-N 2 2 328.378 2.997 40 0 EFABLP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cc1 ZINC000090891684 203057568 /nfs/dbraw/zinc/05/75/68/203057568.db2.gz JLPBCFNTBOBVIM-FQEVSTJZSA-N 2 2 343.446 2.682 40 0 EFABLP CNc1ncccc1C[N@@H+]1CCC[C@@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257224847 244197649 /nfs/dbraw/zinc/19/76/49/244197649.db2.gz FDQYFOXPILTQMB-QGZVFWFLSA-N 2 2 340.475 2.620 40 0 EFABLP CNc1ncccc1C[N@H+]1CCC[C@@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257224847 244197656 /nfs/dbraw/zinc/19/76/56/244197656.db2.gz FDQYFOXPILTQMB-QGZVFWFLSA-N 2 2 340.475 2.620 40 0 EFABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2cnn(C)c2C)n1 ZINC000072355511 203204101 /nfs/dbraw/zinc/20/41/01/203204101.db2.gz HNERAXXHPDBCMU-SFHVURJKSA-N 2 2 336.443 2.955 40 0 EFABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2cnn(C)c2C)n1 ZINC000072355511 203204104 /nfs/dbraw/zinc/20/41/04/203204104.db2.gz HNERAXXHPDBCMU-SFHVURJKSA-N 2 2 336.443 2.955 40 0 EFABLP CCc1[nH+]ccn1-c1nccnc1C1CC[NH+](Cc2ccccn2)CC1 ZINC000072350566 203204483 /nfs/dbraw/zinc/20/44/83/203204483.db2.gz HZMDXIVQOURJPM-UHFFFAOYSA-N 2 2 348.454 2.999 40 0 EFABLP CCc1[nH]c(C[N@@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)c(C)[nH+]1 ZINC000257252861 244273350 /nfs/dbraw/zinc/27/33/50/244273350.db2.gz JWKFQFBXVSLTKP-HKUYNNGSSA-N 2 2 329.444 2.685 40 0 EFABLP CCc1[nH]c(C[N@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)c(C)[nH+]1 ZINC000257252861 244273358 /nfs/dbraw/zinc/27/33/58/244273358.db2.gz JWKFQFBXVSLTKP-HKUYNNGSSA-N 2 2 329.444 2.685 40 0 EFABLP Cc1nc(C[N@@H+]2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)cs1 ZINC000257257358 244284933 /nfs/dbraw/zinc/28/49/33/244284933.db2.gz KPFADRSSGDUWOC-CQSZACIVSA-N 2 2 340.456 2.807 40 0 EFABLP Cc1nc(C[N@H+]2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)cs1 ZINC000257257358 244284936 /nfs/dbraw/zinc/28/49/36/244284936.db2.gz KPFADRSSGDUWOC-CQSZACIVSA-N 2 2 340.456 2.807 40 0 EFABLP Cc1ccc(C[N@H+]2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)cn1 ZINC000257257572 244288093 /nfs/dbraw/zinc/28/80/93/244288093.db2.gz KQEWLRKCJYAFIK-SFHVURJKSA-N 2 2 325.460 2.887 40 0 EFABLP Cc1ccc(C[N@@H+]2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)cn1 ZINC000257257572 244288097 /nfs/dbraw/zinc/28/80/97/244288097.db2.gz KQEWLRKCJYAFIK-SFHVURJKSA-N 2 2 325.460 2.887 40 0 EFABLP Fc1ccc(C[N@@H+]2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)nc1 ZINC000257266318 244360282 /nfs/dbraw/zinc/36/02/82/244360282.db2.gz MCMAQIXQRDKBII-AWEZNQCLSA-N 2 2 338.390 2.576 40 0 EFABLP Fc1ccc(C[N@H+]2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)nc1 ZINC000257266318 244360286 /nfs/dbraw/zinc/36/02/86/244360286.db2.gz MCMAQIXQRDKBII-AWEZNQCLSA-N 2 2 338.390 2.576 40 0 EFABLP COc1ccccc1C[N@@H+]1CCO[C@@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257270830 244377067 /nfs/dbraw/zinc/37/70/67/244377067.db2.gz MVVJHKIMFWYPCK-KRWDZBQOSA-N 2 2 327.428 2.506 40 0 EFABLP COc1ccccc1C[N@H+]1CCO[C@@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257270830 244377073 /nfs/dbraw/zinc/37/70/73/244377073.db2.gz MVVJHKIMFWYPCK-KRWDZBQOSA-N 2 2 327.428 2.506 40 0 EFABLP CC[NH+](CC)CC[C@H]1CN(Cc2scnc2C)Cc2c[nH+]cn21 ZINC000306143042 257925136 /nfs/dbraw/zinc/92/51/36/257925136.db2.gz XRONDQFKUSUKSV-HNNXBMFYSA-N 2 2 333.505 2.937 40 0 EFABLP CC[S@@](=O)[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000096479151 273766377 /nfs/dbraw/zinc/76/63/77/273766377.db2.gz WZDWGULRTBJRKJ-QQMNAOGKSA-N 2 2 335.517 2.720 40 0 EFABLP CCOC(=O)c1c[nH+]c2c(cccc2C(C)C)c1N1CC[NH2+]CC1 ZINC000062719811 276302209 /nfs/dbraw/zinc/30/22/09/276302209.db2.gz GHKAZAUACOLJAD-UHFFFAOYSA-N 2 2 327.428 2.945 40 0 EFABLP Cc1c[nH+]c2n1CCN(C)C21CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000096037000 473259170 /nfs/dbraw/zinc/25/91/70/473259170.db2.gz WCRAAXFNRAPWBW-UHFFFAOYSA-N 2 2 328.435 2.767 40 0 EFABLP CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1C[NH+](Cc1cccnc1)CCC2 ZINC000096055909 473278057 /nfs/dbraw/zinc/27/80/57/473278057.db2.gz ZYYHTFJXKAOQCN-ICSRJNTNSA-N 2 2 345.487 2.567 40 0 EFABLP CCOC(=O)[C@@]12C[N@H+](C(C)C)C[C@@H]1C[NH+](Cc1cccnc1)CCC2 ZINC000096055909 473278063 /nfs/dbraw/zinc/27/80/63/473278063.db2.gz ZYYHTFJXKAOQCN-ICSRJNTNSA-N 2 2 345.487 2.567 40 0 EFABLP CCOC(=O)[C@@]12C[NH+](C(C)C)C[C@@H]1C[N@H+](Cc1cccnc1)CCC2 ZINC000096055909 473278065 /nfs/dbraw/zinc/27/80/65/473278065.db2.gz ZYYHTFJXKAOQCN-ICSRJNTNSA-N 2 2 345.487 2.567 40 0 EFABLP CCOC(=O)[C@@]12C[NH+](C(C)C)C[C@@H]1C[N@@H+](Cc1cccnc1)CCC2 ZINC000096055909 473278071 /nfs/dbraw/zinc/27/80/71/473278071.db2.gz ZYYHTFJXKAOQCN-ICSRJNTNSA-N 2 2 345.487 2.567 40 0 EFABLP C[C@@H](C[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1)CS(C)(=O)=O ZINC000096466202 473434942 /nfs/dbraw/zinc/43/49/42/473434942.db2.gz ZOFNTYGVYUKALI-PQUAAJSLSA-N 2 2 344.565 2.642 40 0 EFABLP C[C@@H](C[N@@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1)CS(C)(=O)=O ZINC000096466202 473434948 /nfs/dbraw/zinc/43/49/48/473434948.db2.gz ZOFNTYGVYUKALI-PQUAAJSLSA-N 2 2 344.565 2.642 40 0 EFABLP Cc1noc(C)c1C[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC000096158987 473317578 /nfs/dbraw/zinc/31/75/78/473317578.db2.gz JOABSOGVIHIMQD-UHFFFAOYSA-N 2 2 342.443 2.558 40 0 EFABLP CCOC[C@@H]1CCC2(CC[NH+](Cc3cnn(C)c3)CC2)[N@@H+]1CC1CC1 ZINC000096206429 473340963 /nfs/dbraw/zinc/34/09/63/473340963.db2.gz OANOYBGFFNACSH-IBGZPJMESA-N 2 2 346.519 2.666 40 0 EFABLP CCOC[C@@H]1CCC2(CC[NH+](Cc3cnn(C)c3)CC2)[N@H+]1CC1CC1 ZINC000096206429 473340970 /nfs/dbraw/zinc/34/09/70/473340970.db2.gz OANOYBGFFNACSH-IBGZPJMESA-N 2 2 346.519 2.666 40 0 EFABLP c1csc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCOCC2)O3)c1 ZINC000096207021 473341780 /nfs/dbraw/zinc/34/17/80/473341780.db2.gz AXDLWAAJHKDVQF-SJLPKXTDSA-N 2 2 336.501 2.594 40 0 EFABLP c1csc(C[N@@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCOCC2)O3)c1 ZINC000096207021 473341785 /nfs/dbraw/zinc/34/17/85/473341785.db2.gz AXDLWAAJHKDVQF-SJLPKXTDSA-N 2 2 336.501 2.594 40 0 EFABLP COc1ccccc1C[N@@H+]1C[C@H]2OC[C@@H](COc3cc[nH+]cc3)[C@H]2C1 ZINC000096217197 473350597 /nfs/dbraw/zinc/35/05/97/473350597.db2.gz NPCQDDFTBQNUTF-YVWKXTFCSA-N 2 2 340.423 2.616 40 0 EFABLP COc1ccccc1C[N@H+]1C[C@H]2OC[C@@H](COc3cc[nH+]cc3)[C@H]2C1 ZINC000096217197 473350603 /nfs/dbraw/zinc/35/06/03/473350603.db2.gz NPCQDDFTBQNUTF-YVWKXTFCSA-N 2 2 340.423 2.616 40 0 EFABLP O=C(NCCCCn1cc[nH+]c1)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000096404843 473381542 /nfs/dbraw/zinc/38/15/42/473381542.db2.gz UXILEYBFDKXHTM-GOSISDBHSA-N 2 2 347.507 2.713 40 0 EFABLP C1CC2CCC1C[NH+]([C@H]1CO[C@H]([NH+]3CC4CCC(CC4)C3)CO1)C2 ZINC000016927501 471952261 /nfs/dbraw/zinc/95/22/61/471952261.db2.gz KMYPMHHZMQKXPU-LRSVDANFSA-N 2 2 334.504 2.929 40 0 EFABLP CCn1c[nH+]cc1CN(Cc1ccccn1)C[C@H]1CCC[N@@H+]1CC ZINC000019578563 471981653 /nfs/dbraw/zinc/98/16/53/471981653.db2.gz VRODXLXMQPMBSJ-GOSISDBHSA-N 2 2 327.476 2.785 40 0 EFABLP CCn1c[nH+]cc1CN(Cc1ccccn1)C[C@H]1CCC[N@H+]1CC ZINC000019578563 471981659 /nfs/dbraw/zinc/98/16/59/471981659.db2.gz VRODXLXMQPMBSJ-GOSISDBHSA-N 2 2 327.476 2.785 40 0 EFABLP Cc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](C[NH2+]CC[NH+](C)C)C=C2C)o1 ZINC000035442616 471996555 /nfs/dbraw/zinc/99/65/55/471996555.db2.gz ACNDWXVHJOGGKH-BZSNNMDCSA-N 2 2 334.508 2.926 40 0 biogenic,in-vitro EFABLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000097377017 472495256 /nfs/dbraw/zinc/49/52/56/472495256.db2.gz ASTWQBIAIVDVTB-QGZVFWFLSA-N 2 2 339.487 2.870 40 0 EFABLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000097377017 472495260 /nfs/dbraw/zinc/49/52/60/472495260.db2.gz ASTWQBIAIVDVTB-QGZVFWFLSA-N 2 2 339.487 2.870 40 0 EFABLP COc1c(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(C)nn1C ZINC000119322331 472545696 /nfs/dbraw/zinc/54/56/96/472545696.db2.gz CGWOKXJPGWPDFP-UHFFFAOYSA-N 2 2 342.487 2.834 40 0 EFABLP C[N@@H+]1CCC[C@H](C[NH2+][C@H](C(N)=O)c2ccccc2)[C@H]1c1cccs1 ZINC000110636796 473167413 /nfs/dbraw/zinc/16/74/13/473167413.db2.gz MUAFWYMDBAZTJO-NJAFHUGGSA-N 2 2 343.496 2.947 40 0 EFABLP C[N@H+]1CCC[C@H](C[NH2+][C@H](C(N)=O)c2ccccc2)[C@H]1c1cccs1 ZINC000110636796 473167414 /nfs/dbraw/zinc/16/74/14/473167414.db2.gz MUAFWYMDBAZTJO-NJAFHUGGSA-N 2 2 343.496 2.947 40 0 EFABLP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCNc1cccc[nH+]1 ZINC000096435989 473415513 /nfs/dbraw/zinc/41/55/13/473415513.db2.gz FSWHSAFCXPRIAY-UHFFFAOYSA-N 2 2 338.411 2.731 40 0 EFABLP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cccc(O)c2)nc[nH+]1 ZINC000194921529 473975289 /nfs/dbraw/zinc/97/52/89/473975289.db2.gz VVFGZQLJTZRXHY-ZFWWWQNUSA-N 2 2 327.432 2.544 40 0 EFABLP c1c[nH+]c([C@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)c2cccnc2)[nH]1 ZINC000195049190 473998823 /nfs/dbraw/zinc/99/88/23/473998823.db2.gz WTTFEDYHWBMBPK-ZWKOTPCHSA-N 2 2 325.460 2.748 40 0 EFABLP c1c[nH+]c([C@H](N[C@H]2CC[N@H+](CC3CCCC3)C2)c2cccnc2)[nH]1 ZINC000195049190 473998825 /nfs/dbraw/zinc/99/88/25/473998825.db2.gz WTTFEDYHWBMBPK-ZWKOTPCHSA-N 2 2 325.460 2.748 40 0 EFABLP COc1ccc(Nc2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)c(C)c1 ZINC000230482554 474260523 /nfs/dbraw/zinc/26/05/23/474260523.db2.gz MXUQVBACCKPJPC-UHFFFAOYSA-N 2 2 338.415 2.811 40 0 EFABLP C[NH+](C)C[C@@H]1CN(C(=O)c2cc3ccccc3s2)Cc2c[nH+]cn21 ZINC000248138275 474269262 /nfs/dbraw/zinc/26/92/62/474269262.db2.gz SIUKPUFXHINZGM-OAHLLOKOSA-N 2 2 340.452 2.857 40 0 EFABLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000245228132 474572766 /nfs/dbraw/zinc/57/27/66/474572766.db2.gz FZYGLXLTKSKKPV-HBFSDRIKSA-N 2 2 332.488 2.515 40 0 EFABLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000245228132 474572769 /nfs/dbraw/zinc/57/27/69/474572769.db2.gz FZYGLXLTKSKKPV-HBFSDRIKSA-N 2 2 332.488 2.515 40 0 EFABLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)C[C@@H](O)C(F)(F)F ZINC000252585738 474699317 /nfs/dbraw/zinc/69/93/17/474699317.db2.gz KSMAZCXJJDTNFJ-FVQBIDKESA-N 2 2 330.394 2.752 40 0 EFABLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)C[C@@H](O)C(F)(F)F ZINC000252585738 474699322 /nfs/dbraw/zinc/69/93/22/474699322.db2.gz KSMAZCXJJDTNFJ-FVQBIDKESA-N 2 2 330.394 2.752 40 0 EFABLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000252585738 474699328 /nfs/dbraw/zinc/69/93/28/474699328.db2.gz KSMAZCXJJDTNFJ-FVQBIDKESA-N 2 2 330.394 2.752 40 0 EFABLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000252585738 474699337 /nfs/dbraw/zinc/69/93/37/474699337.db2.gz KSMAZCXJJDTNFJ-FVQBIDKESA-N 2 2 330.394 2.752 40 0 EFABLP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+](CC4CC4)CCN3C(C)(C)C2)cc1 ZINC000253408849 474740878 /nfs/dbraw/zinc/74/08/78/474740878.db2.gz YUOJBAPNADPGLM-IBGZPJMESA-N 2 2 343.515 2.686 40 0 biogenic,in-vitro EFABLP COc1ccc(C[N@H+]2C[C@@H]3C[NH+](CC4CC4)CCN3C(C)(C)C2)cc1 ZINC000253408849 474740893 /nfs/dbraw/zinc/74/08/93/474740893.db2.gz YUOJBAPNADPGLM-IBGZPJMESA-N 2 2 343.515 2.686 40 0 biogenic,in-vitro EFABLP COc1ccc(C[NH+]2C[C@@H]3C[N@H+](CC4CC4)CCN3C(C)(C)C2)cc1 ZINC000253408849 474740900 /nfs/dbraw/zinc/74/09/00/474740900.db2.gz YUOJBAPNADPGLM-IBGZPJMESA-N 2 2 343.515 2.686 40 0 biogenic,in-vitro EFABLP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+](CC4CC4)CCN3C(C)(C)C2)cc1 ZINC000253408849 474740908 /nfs/dbraw/zinc/74/09/08/474740908.db2.gz YUOJBAPNADPGLM-IBGZPJMESA-N 2 2 343.515 2.686 40 0 biogenic,in-vitro EFABLP CCc1[nH+]ccn1[C@@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000253419986 474746679 /nfs/dbraw/zinc/74/66/79/474746679.db2.gz SZPMZKSVTCOUDS-OAHLLOKOSA-N 2 2 326.448 2.677 40 0 EFABLP CCc1[nH+]ccn1[C@@H]1CCCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000253419986 474746687 /nfs/dbraw/zinc/74/66/87/474746687.db2.gz SZPMZKSVTCOUDS-OAHLLOKOSA-N 2 2 326.448 2.677 40 0 EFABLP Cn1cc(-c2c[nH+]c3n2C[C@@H]2C[N@@H+](Cc4ccccc4)C[C@@H]2C3)cn1 ZINC000306144460 474812336 /nfs/dbraw/zinc/81/23/36/474812336.db2.gz ZFYUASLYBDVJTO-WMZOPIPTSA-N 2 2 333.439 2.588 40 0 EFABLP Cn1cc(-c2c[nH+]c3n2C[C@@H]2C[N@H+](Cc4ccccc4)C[C@@H]2C3)cn1 ZINC000306144460 474812344 /nfs/dbraw/zinc/81/23/44/474812344.db2.gz ZFYUASLYBDVJTO-WMZOPIPTSA-N 2 2 333.439 2.588 40 0 EFABLP CN(C)c1cc([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)cc[nH+]1 ZINC000257286696 474933341 /nfs/dbraw/zinc/93/33/41/474933341.db2.gz PMPQDQZOUWJMGL-KRWDZBQOSA-N 2 2 341.459 2.531 40 0 EFABLP Cc1cc(CC2CCN(C(=O)CCCn3cc[nH+]c3)CC2)cc[nH+]1 ZINC000257288920 474933803 /nfs/dbraw/zinc/93/38/03/474933803.db2.gz PWFXVFJIOHRIFI-UHFFFAOYSA-N 2 2 326.444 2.848 40 0 EFABLP C[NH+](C)Cc1ccnc([C@@H]2C[N@H+](CCCc3ccccc3)CCO2)n1 ZINC000257290610 474934453 /nfs/dbraw/zinc/93/44/53/474934453.db2.gz QDOUXXMDBWCICA-IBGZPJMESA-N 2 2 340.471 2.544 40 0 EFABLP C[NH+](C)Cc1ccnc([C@@H]2C[N@@H+](CCCc3ccccc3)CCO2)n1 ZINC000257290610 474934457 /nfs/dbraw/zinc/93/44/57/474934457.db2.gz QDOUXXMDBWCICA-IBGZPJMESA-N 2 2 340.471 2.544 40 0 EFABLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@H](O)c1ccccc1 ZINC000257293366 474936919 /nfs/dbraw/zinc/93/69/19/474936919.db2.gz QPEBSYCGLBCWIH-NRFANRHFSA-N 2 2 340.467 2.684 40 0 EFABLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@H](O)c1ccccc1 ZINC000257293366 474936926 /nfs/dbraw/zinc/93/69/26/474936926.db2.gz QPEBSYCGLBCWIH-NRFANRHFSA-N 2 2 340.467 2.684 40 0 EFABLP Nc1cc(CC[C@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)CCO2)cc[nH+]1 ZINC000257325769 474954906 /nfs/dbraw/zinc/95/49/06/474954906.db2.gz WUIIKLITDAEHEU-SFHVURJKSA-N 2 2 336.439 2.979 40 0 EFABLP Nc1cc(CC[C@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)CCO2)cc[nH+]1 ZINC000257325769 474954913 /nfs/dbraw/zinc/95/49/13/474954913.db2.gz WUIIKLITDAEHEU-SFHVURJKSA-N 2 2 336.439 2.979 40 0 EFABLP Cc1cc(N(C)C)cc([C@@H]2C[N@H+](Cc3cnccc3C)CCO2)[nH+]1 ZINC000257331467 474959526 /nfs/dbraw/zinc/95/95/26/474959526.db2.gz XSZSQOFRNZBKJY-IBGZPJMESA-N 2 2 326.444 2.733 40 0 EFABLP Cc1cc(N(C)C)cc([C@@H]2C[N@@H+](Cc3cnccc3C)CCO2)[nH+]1 ZINC000257331467 474959535 /nfs/dbraw/zinc/95/95/35/474959535.db2.gz XSZSQOFRNZBKJY-IBGZPJMESA-N 2 2 326.444 2.733 40 0 EFABLP C[NH+](C)Cc1cnc([C@@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)CCO2)[nH]1 ZINC000585182597 479303336 /nfs/dbraw/zinc/30/33/36/479303336.db2.gz XIIWGCDOLNKXDV-SFHVURJKSA-N 2 2 339.443 2.526 40 0 EFABLP C[NH+](C)Cc1cnc([C@@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)CCO2)[nH]1 ZINC000585182597 479303338 /nfs/dbraw/zinc/30/33/38/479303338.db2.gz XIIWGCDOLNKXDV-SFHVURJKSA-N 2 2 339.443 2.526 40 0 EFABLP C[NH+](C)Cc1c[nH]c([C@@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)CCO2)n1 ZINC000585182597 479303344 /nfs/dbraw/zinc/30/33/44/479303344.db2.gz XIIWGCDOLNKXDV-SFHVURJKSA-N 2 2 339.443 2.526 40 0 EFABLP C[NH+](C)Cc1c[nH]c([C@@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)CCO2)n1 ZINC000585182597 479303345 /nfs/dbraw/zinc/30/33/45/479303345.db2.gz XIIWGCDOLNKXDV-SFHVURJKSA-N 2 2 339.443 2.526 40 0 EFABLP O[C@@H]1[C@@H](C[NH2+]Cc2c[nH+]c[nH]2)CCC[C@H]1Oc1ccc(Cl)cc1 ZINC000585285432 479309344 /nfs/dbraw/zinc/30/93/44/479309344.db2.gz CWHAKGSRRMRFRT-CSMYWGQOSA-N 2 2 335.835 2.761 40 0 EFABLP Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCCCn3cc[nH+]c3)[C@H]2O)c1 ZINC000585289414 479309914 /nfs/dbraw/zinc/30/99/14/479309914.db2.gz QTDPCUVZCMPMPR-XUVXKRRUSA-N 2 2 343.471 2.922 40 0 EFABLP C[C@@H](C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1)N1CC[NH+](C)CC1 ZINC000183558209 534079420 /nfs/dbraw/zinc/07/94/20/534079420.db2.gz LTUVGCQXJXZCKZ-JXFKEZNVSA-N 2 2 342.462 2.536 40 0 EFABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072355439 216165087 /nfs/dbraw/zinc/16/50/87/216165087.db2.gz ITGLBLUYPJMDHA-QGZVFWFLSA-N 2 2 348.454 2.999 40 0 EFABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072355439 216165090 /nfs/dbraw/zinc/16/50/90/216165090.db2.gz ITGLBLUYPJMDHA-QGZVFWFLSA-N 2 2 348.454 2.999 40 0 EFABLP CCc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000072350568 216162382 /nfs/dbraw/zinc/16/23/82/216162382.db2.gz VUAQAYPUXALVGN-INIZCTEOSA-N 2 2 348.454 2.999 40 0 EFABLP CCc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000072350568 216162384 /nfs/dbraw/zinc/16/23/84/216162384.db2.gz VUAQAYPUXALVGN-INIZCTEOSA-N 2 2 348.454 2.999 40 0 EFABLP Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3cnn4c3nc(C)cc4C)C2)[nH+]1 ZINC000257207851 244139538 /nfs/dbraw/zinc/13/95/38/244139538.db2.gz BJPKCWMXBYVKJZ-MRXNPFEDSA-N 2 2 338.459 2.768 40 0 EFABLP Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3cnn4c3nc(C)cc4C)C2)[nH+]1 ZINC000257207851 244139548 /nfs/dbraw/zinc/13/95/48/244139548.db2.gz BJPKCWMXBYVKJZ-MRXNPFEDSA-N 2 2 338.459 2.768 40 0 EFABLP Cc1ccc(N(C)[C@H]2COC3(C2)CC[NH+](Cc2c[nH+]c[nH]2)CC3)cc1 ZINC000257211540 244153275 /nfs/dbraw/zinc/15/32/75/244153275.db2.gz BZHMIQQIZZPUHV-LJQANCHMSA-N 2 2 340.471 2.978 40 0 EFABLP Cc1cncc(C[N@@H+]2CCO[C@@H](CCc3cc[nH+]c(N(C)C)c3)C2)c1 ZINC000257229790 244209247 /nfs/dbraw/zinc/20/92/47/244209247.db2.gz FZMGPSSYUFIQJC-IBGZPJMESA-N 2 2 340.471 2.685 40 0 EFABLP Cc1cncc(C[N@H+]2CCO[C@@H](CCc3cc[nH+]c(N(C)C)c3)C2)c1 ZINC000257229790 244209252 /nfs/dbraw/zinc/20/92/52/244209252.db2.gz FZMGPSSYUFIQJC-IBGZPJMESA-N 2 2 340.471 2.685 40 0 EFABLP COc1cccc(C[N@@H+]2CCC[C@H]2c2nccc(C[NH+](C)C)n2)c1 ZINC000257239725 244238949 /nfs/dbraw/zinc/23/89/49/244238949.db2.gz HQNHGPRNLITUTQ-SFHVURJKSA-N 2 2 326.444 2.884 40 0 EFABLP COc1cccc(C[N@H+]2CCC[C@H]2c2nccc(C[NH+](C)C)n2)c1 ZINC000257239725 244238959 /nfs/dbraw/zinc/23/89/59/244238959.db2.gz HQNHGPRNLITUTQ-SFHVURJKSA-N 2 2 326.444 2.884 40 0 EFABLP Cc1nc(C[N@H+]2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)cs1 ZINC000257249619 244265330 /nfs/dbraw/zinc/26/53/30/244265330.db2.gz JJCGFSWWKMHCLW-MRXNPFEDSA-N 2 2 331.489 2.949 40 0 EFABLP Cc1nc(C[N@@H+]2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)cs1 ZINC000257249619 244265335 /nfs/dbraw/zinc/26/53/35/244265335.db2.gz JJCGFSWWKMHCLW-MRXNPFEDSA-N 2 2 331.489 2.949 40 0 EFABLP Cc1cn(C)c([C@H]2CCCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)[nH+]1 ZINC000257249138 244266554 /nfs/dbraw/zinc/26/65/54/244266554.db2.gz JGYPIYNZEOERSM-INIZCTEOSA-N 2 2 343.475 2.845 40 0 EFABLP CNc1ncccc1C[N@@H+]1CCC[C@@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257258344 244290423 /nfs/dbraw/zinc/29/04/23/244290423.db2.gz KTKRUDUXTRMUGB-MRXNPFEDSA-N 2 2 325.460 2.964 40 0 EFABLP CNc1ncccc1C[N@H+]1CCC[C@@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257258344 244290425 /nfs/dbraw/zinc/29/04/25/244290425.db2.gz KTKRUDUXTRMUGB-MRXNPFEDSA-N 2 2 325.460 2.964 40 0 EFABLP Fc1cccc(C[N@@H+]2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)c1 ZINC000019293897 212013397 /nfs/dbraw/zinc/01/33/97/212013397.db2.gz WZYFROYCRYCHLP-OAHLLOKOSA-N 2 2 326.419 2.641 40 0 EFABLP Fc1cccc(C[N@H+]2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)c1 ZINC000019293897 212013399 /nfs/dbraw/zinc/01/33/99/212013399.db2.gz WZYFROYCRYCHLP-OAHLLOKOSA-N 2 2 326.419 2.641 40 0 EFABLP CC(C)N(C[C@H]1CCC[N@H+](CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411705 217221642 /nfs/dbraw/zinc/22/16/42/217221642.db2.gz JRTBETIIYCORLU-SFHVURJKSA-N 2 2 333.476 2.704 40 0 EFABLP CC(C)N(C[C@H]1CCC[N@@H+](CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411705 217221645 /nfs/dbraw/zinc/22/16/45/217221645.db2.gz JRTBETIIYCORLU-SFHVURJKSA-N 2 2 333.476 2.704 40 0 EFABLP [NH3+]CC[N@@H+]1CCCC[C@@H]1CN(C(=O)OCc1ccccc1)C1CC1 ZINC000079391033 217217202 /nfs/dbraw/zinc/21/72/02/217217202.db2.gz KVZGVYACXOUDAY-GOSISDBHSA-N 2 2 331.460 2.601 40 0 EFABLP [NH3+]CC[N@H+]1CCCC[C@@H]1CN(C(=O)OCc1ccccc1)C1CC1 ZINC000079391033 217217203 /nfs/dbraw/zinc/21/72/03/217217203.db2.gz KVZGVYACXOUDAY-GOSISDBHSA-N 2 2 331.460 2.601 40 0 EFABLP O=C(Cn1cc[nH+]c1)NCc1cccc(C[NH+]2CCCCCCC2)c1 ZINC000095405580 218341427 /nfs/dbraw/zinc/34/14/27/218341427.db2.gz RNWCHRNAWFNWCN-UHFFFAOYSA-N 2 2 340.471 2.966 40 0 EFABLP c1cn(Cc2ccccc2)c(CC[NH2+]C2CCC3(CC2)OCCO3)[nH+]1 ZINC000155068545 224353690 /nfs/dbraw/zinc/35/36/90/224353690.db2.gz XBSYDGZVRJPGBJ-UHFFFAOYSA-N 2 2 341.455 2.749 40 0 EFABLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000096486660 274357151 /nfs/dbraw/zinc/35/71/51/274357151.db2.gz UEZXKOOTGCJAOX-PBHICJAKSA-N 2 2 348.454 2.930 40 0 EFABLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000096486660 274357152 /nfs/dbraw/zinc/35/71/52/274357152.db2.gz UEZXKOOTGCJAOX-PBHICJAKSA-N 2 2 348.454 2.930 40 0 EFABLP CC[NH+](CC)C[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2c[nH+]cn21 ZINC000248256265 276106643 /nfs/dbraw/zinc/10/66/43/276106643.db2.gz OHGBKNZZZSQYMS-QGZVFWFLSA-N 2 2 342.443 2.511 40 0 EFABLP C[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(=O)N1CCCC[C@@H]1C ZINC000097236326 323214307 /nfs/dbraw/zinc/21/43/07/323214307.db2.gz FUAXXSRIZVDXPN-KBPBESRZSA-N 2 2 349.441 2.782 40 0 EFABLP Cc1cc(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cc[nH+]1 ZINC000120325996 323215811 /nfs/dbraw/zinc/21/58/11/323215811.db2.gz PLCWXSPHJNJBNX-UHFFFAOYSA-N 2 2 346.475 2.746 40 0 EFABLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1nccs1)CC2 ZINC000096048006 473268370 /nfs/dbraw/zinc/26/83/70/473268370.db2.gz MJXUJYLKLUHPCU-OAHLLOKOSA-N 2 2 347.484 2.992 40 0 EFABLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1nccs1)CC2 ZINC000096048006 473268375 /nfs/dbraw/zinc/26/83/75/473268375.db2.gz MJXUJYLKLUHPCU-OAHLLOKOSA-N 2 2 347.484 2.992 40 0 EFABLP Cc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@H](Cn4cc[nH+]c4)CO3)C2)s1 ZINC000096052068 473276052 /nfs/dbraw/zinc/27/60/52/473276052.db2.gz CWWDOTJNCULINI-SJLPKXTDSA-N 2 2 347.484 2.561 40 0 EFABLP Cc1ccc(C[N@H+]2CCOC[C@@]3(C[C@H](Cn4cc[nH+]c4)CO3)C2)s1 ZINC000096052068 473276060 /nfs/dbraw/zinc/27/60/60/473276060.db2.gz CWWDOTJNCULINI-SJLPKXTDSA-N 2 2 347.484 2.561 40 0 EFABLP Cc1ccc(C[N@@H+]2CCOC[C@]3(CCN(c4cccc[nH+]4)C3)C2)o1 ZINC000096062462 473284901 /nfs/dbraw/zinc/28/49/01/473284901.db2.gz NQSIMQOPOROGTG-LJQANCHMSA-N 2 2 327.428 2.712 40 0 EFABLP Cc1ccc(C[N@H+]2CCOC[C@]3(CCN(c4cccc[nH+]4)C3)C2)o1 ZINC000096062462 473284906 /nfs/dbraw/zinc/28/49/06/473284906.db2.gz NQSIMQOPOROGTG-LJQANCHMSA-N 2 2 327.428 2.712 40 0 EFABLP c1csc(C[N@@H+]2CC[C@]3(C2)COCC[NH+](Cc2ccncc2)C3)c1 ZINC000096062406 473285022 /nfs/dbraw/zinc/28/50/22/473285022.db2.gz SBYRITAAWVPZAV-LJQANCHMSA-N 2 2 343.496 2.868 40 0 EFABLP c1csc(C[N@H+]2CC[C@]3(C2)COCC[NH+](Cc2ccncc2)C3)c1 ZINC000096062406 473285027 /nfs/dbraw/zinc/28/50/27/473285027.db2.gz SBYRITAAWVPZAV-LJQANCHMSA-N 2 2 343.496 2.868 40 0 EFABLP c1csc(C[NH+]2CC[C@]3(C2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC000096062406 473285031 /nfs/dbraw/zinc/28/50/31/473285031.db2.gz SBYRITAAWVPZAV-LJQANCHMSA-N 2 2 343.496 2.868 40 0 EFABLP c1csc(C[NH+]2CC[C@]3(C2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC000096062406 473285034 /nfs/dbraw/zinc/28/50/34/473285034.db2.gz SBYRITAAWVPZAV-LJQANCHMSA-N 2 2 343.496 2.868 40 0 EFABLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](C1CCOCC1)C2 ZINC000096189521 473331211 /nfs/dbraw/zinc/33/12/11/473331211.db2.gz QGZKLJYJVCGQPW-UHFFFAOYSA-N 2 2 341.455 2.844 40 0 EFABLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](C1CCOCC1)C2 ZINC000096189521 473331214 /nfs/dbraw/zinc/33/12/14/473331214.db2.gz QGZKLJYJVCGQPW-UHFFFAOYSA-N 2 2 341.455 2.844 40 0 EFABLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](C1CCOCC1)C2 ZINC000096189521 473331219 /nfs/dbraw/zinc/33/12/19/473331219.db2.gz QGZKLJYJVCGQPW-UHFFFAOYSA-N 2 2 341.455 2.844 40 0 EFABLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](C1CCOCC1)C2 ZINC000096189521 473331225 /nfs/dbraw/zinc/33/12/25/473331225.db2.gz QGZKLJYJVCGQPW-UHFFFAOYSA-N 2 2 341.455 2.844 40 0 EFABLP Cc1ccc(C[N@H+]2CCc3ncc(CNc4cccc[nH+]4)n3CC2)o1 ZINC000096197106 473333073 /nfs/dbraw/zinc/33/30/73/473333073.db2.gz UUAPIEAUOJITGY-UHFFFAOYSA-N 2 2 337.427 2.850 40 0 EFABLP Cc1ccc(C[N@@H+]2CCc3ncc(CNc4cccc[nH+]4)n3CC2)o1 ZINC000096197106 473333083 /nfs/dbraw/zinc/33/30/83/473333083.db2.gz UUAPIEAUOJITGY-UHFFFAOYSA-N 2 2 337.427 2.850 40 0 EFABLP Cc1cccc(C[N@@H+]2CCOC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)c1 ZINC000096202064 473337084 /nfs/dbraw/zinc/33/70/84/473337084.db2.gz AODHKFAVVHBZCC-NRFANRHFSA-N 2 2 344.499 2.698 40 0 EFABLP Cc1cccc(C[N@H+]2CCOC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)c1 ZINC000096202064 473337087 /nfs/dbraw/zinc/33/70/87/473337087.db2.gz AODHKFAVVHBZCC-NRFANRHFSA-N 2 2 344.499 2.698 40 0 EFABLP Cc1cccc(C[NH+]2CCOC[C@@]3(CC[N@@H+](C4CCOCC4)C3)C2)c1 ZINC000096202064 473337093 /nfs/dbraw/zinc/33/70/93/473337093.db2.gz AODHKFAVVHBZCC-NRFANRHFSA-N 2 2 344.499 2.698 40 0 EFABLP Cc1cccc(C[NH+]2CCOC[C@@]3(CC[N@H+](C4CCOCC4)C3)C2)c1 ZINC000096202064 473337100 /nfs/dbraw/zinc/33/71/00/473337100.db2.gz AODHKFAVVHBZCC-NRFANRHFSA-N 2 2 344.499 2.698 40 0 EFABLP c1csc(C[N@@H+]2CCOC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)c1 ZINC000096202237 473338018 /nfs/dbraw/zinc/33/80/18/473338018.db2.gz FTCDNDGOQIJNQI-SFHVURJKSA-N 2 2 329.469 2.872 40 0 EFABLP c1csc(C[N@H+]2CCOC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)c1 ZINC000096202237 473338025 /nfs/dbraw/zinc/33/80/25/473338025.db2.gz FTCDNDGOQIJNQI-SFHVURJKSA-N 2 2 329.469 2.872 40 0 EFABLP c1[nH+]cn2c1C[N@H+](Cc1ccncc1)C[C@@H](COCc1ccncc1)C2 ZINC000096207369 473343454 /nfs/dbraw/zinc/34/34/54/473343454.db2.gz POTRDGRONLCACX-LJQANCHMSA-N 2 2 349.438 2.522 40 0 EFABLP c1[nH+]cn2c1C[N@@H+](Cc1ccncc1)C[C@@H](COCc1ccncc1)C2 ZINC000096207369 473343460 /nfs/dbraw/zinc/34/34/60/473343460.db2.gz POTRDGRONLCACX-LJQANCHMSA-N 2 2 349.438 2.522 40 0 EFABLP c1[nH+]cn2c1C[N@H+](CCc1ccccc1)C[C@H](COCC1CC1)C2 ZINC000096206230 473341175 /nfs/dbraw/zinc/34/11/75/473341175.db2.gz KOWHMWVMHBYBGD-IBGZPJMESA-N 2 2 325.456 2.984 40 0 EFABLP c1[nH+]cn2c1C[N@@H+](CCc1ccccc1)C[C@H](COCC1CC1)C2 ZINC000096206230 473341182 /nfs/dbraw/zinc/34/11/82/473341182.db2.gz KOWHMWVMHBYBGD-IBGZPJMESA-N 2 2 325.456 2.984 40 0 EFABLP Cc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2cnn(C)c2)C3)n1 ZINC000096217252 473349452 /nfs/dbraw/zinc/34/94/52/473349452.db2.gz VQSPMTKQGOFQNW-HXUWFJFHSA-N 2 2 339.487 2.612 40 0 EFABLP Cc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2cnn(C)c2)C3)n1 ZINC000096217252 473349459 /nfs/dbraw/zinc/34/94/59/473349459.db2.gz VQSPMTKQGOFQNW-HXUWFJFHSA-N 2 2 339.487 2.612 40 0 EFABLP Cc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2cnn(C)c2)C3)n1 ZINC000096217252 473349467 /nfs/dbraw/zinc/34/94/67/473349467.db2.gz VQSPMTKQGOFQNW-HXUWFJFHSA-N 2 2 339.487 2.612 40 0 EFABLP Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2cnn(C)c2)C3)n1 ZINC000096217252 473349471 /nfs/dbraw/zinc/34/94/71/473349471.db2.gz VQSPMTKQGOFQNW-HXUWFJFHSA-N 2 2 339.487 2.612 40 0 EFABLP C[N@@H+]1C[C@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3ccoc3)C2)C1 ZINC000096219368 473352349 /nfs/dbraw/zinc/35/23/49/473352349.db2.gz QGEWELSZQYSZKH-UYAOXDASSA-N 2 2 341.455 2.645 40 0 EFABLP C[N@H+]1C[C@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3ccoc3)C2)C1 ZINC000096219368 473352356 /nfs/dbraw/zinc/35/23/56/473352356.db2.gz QGEWELSZQYSZKH-UYAOXDASSA-N 2 2 341.455 2.645 40 0 EFABLP C[NH+]1C[C@H](COCc2ccccn2)[C@]2(CC[N@H+](Cc3ccoc3)C2)C1 ZINC000096219368 473352362 /nfs/dbraw/zinc/35/23/62/473352362.db2.gz QGEWELSZQYSZKH-UYAOXDASSA-N 2 2 341.455 2.645 40 0 EFABLP C[NH+]1C[C@H](COCc2ccccn2)[C@]2(CC[N@@H+](Cc3ccoc3)C2)C1 ZINC000096219368 473352369 /nfs/dbraw/zinc/35/23/69/473352369.db2.gz QGEWELSZQYSZKH-UYAOXDASSA-N 2 2 341.455 2.645 40 0 EFABLP c1ccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4ccncc4)C3)C2)[nH+]c1 ZINC000096229057 473359067 /nfs/dbraw/zinc/35/90/67/473359067.db2.gz DHOJHVAMWYXOBG-HXUWFJFHSA-N 2 2 338.455 2.596 40 0 EFABLP c1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4ccncc4)C3)C2)[nH+]c1 ZINC000096229057 473359073 /nfs/dbraw/zinc/35/90/73/473359073.db2.gz DHOJHVAMWYXOBG-HXUWFJFHSA-N 2 2 338.455 2.596 40 0 EFABLP c1ccc(N2CCOC[C@]3(CCC[N@@H+](Cc4cccnc4)C3)C2)[nH+]c1 ZINC000096229054 473359748 /nfs/dbraw/zinc/35/97/48/473359748.db2.gz UAEKZOHVANEGJB-FQEVSTJZSA-N 2 2 338.455 2.596 40 0 EFABLP c1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4cccnc4)C3)C2)[nH+]c1 ZINC000096229054 473359750 /nfs/dbraw/zinc/35/97/50/473359750.db2.gz UAEKZOHVANEGJB-FQEVSTJZSA-N 2 2 338.455 2.596 40 0 EFABLP c1ccc2c(c1)[C@@H]1C[N@H+](Cc3cccnc3)C[C@@H]1[C@H]2[NH+]1CCOCC1 ZINC000096251708 473364155 /nfs/dbraw/zinc/36/41/55/473364155.db2.gz GFNQXXROXBVVLH-ACRUOGEOSA-N 2 2 335.451 2.684 40 0 EFABLP c1ccc2c(c1)[C@@H]1C[N@@H+](Cc3cccnc3)C[C@@H]1[C@H]2[NH+]1CCOCC1 ZINC000096251708 473364157 /nfs/dbraw/zinc/36/41/57/473364157.db2.gz GFNQXXROXBVVLH-ACRUOGEOSA-N 2 2 335.451 2.684 40 0 EFABLP CCOc1cc(C[NH2+]CCC[NH+]2CCOCC2)cc(Cl)c1OC ZINC000008253658 471674848 /nfs/dbraw/zinc/67/48/48/471674848.db2.gz QQLJRKWEYSRESA-UHFFFAOYSA-N 2 2 342.867 2.559 40 0 EFABLP O=C(NCCC[NH+]1CCCCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044907938 472351964 /nfs/dbraw/zinc/35/19/64/472351964.db2.gz MOPZDDYYZBQHGP-UHFFFAOYSA-N 2 2 340.471 2.927 40 0 EFABLP CC1CC[NH+](CCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000044914105 472352477 /nfs/dbraw/zinc/35/24/77/472352477.db2.gz MPNNDHMUHNHEDO-UHFFFAOYSA-N 2 2 340.471 2.783 40 0 EFABLP Cc1cccc([C@@H](O)C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000090521097 472630334 /nfs/dbraw/zinc/63/03/34/472630334.db2.gz ZXOVOQXAVPHNDM-FQEVSTJZSA-N 2 2 325.456 2.678 40 0 EFABLP COc1cccc([C@@H]2[C@@H]([NH2+]C3CC[NH+](C)CC3)CCN2C2CC2)c1 ZINC000157041273 472778533 /nfs/dbraw/zinc/77/85/33/472778533.db2.gz DILBIQPHBVSQLP-VQTJNVASSA-N 2 2 329.488 2.657 40 0 EFABLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000092666329 472957847 /nfs/dbraw/zinc/95/78/47/472957847.db2.gz GOGIOPOTUBKFRB-HDICACEKSA-N 2 2 347.551 2.629 40 0 EFABLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000092666329 472957854 /nfs/dbraw/zinc/95/78/54/472957854.db2.gz GOGIOPOTUBKFRB-HDICACEKSA-N 2 2 347.551 2.629 40 0 EFABLP COc1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)cc1 ZINC000107731390 472979375 /nfs/dbraw/zinc/97/93/75/472979375.db2.gz ZSUPZBRVNNTAMD-IEBWSBKVSA-N 2 2 327.428 2.888 40 0 EFABLP COc1ccc(C[N@H+]2CCC[C@@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)cc1 ZINC000107731390 472979386 /nfs/dbraw/zinc/97/93/86/472979386.db2.gz ZSUPZBRVNNTAMD-IEBWSBKVSA-N 2 2 327.428 2.888 40 0 EFABLP Cc1cccc([C@H](C)NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1C ZINC000096452357 473429214 /nfs/dbraw/zinc/42/92/14/473429214.db2.gz XOOUXBFHXBSWPN-KRWDZBQOSA-N 2 2 346.519 2.690 40 0 EFABLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000192067572 473620185 /nfs/dbraw/zinc/62/01/85/473620185.db2.gz ZZLFYXWBAQBSSA-OALUTQOASA-N 2 2 327.428 2.561 40 0 EFABLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000192067572 473620191 /nfs/dbraw/zinc/62/01/91/473620191.db2.gz ZZLFYXWBAQBSSA-OALUTQOASA-N 2 2 327.428 2.561 40 0 EFABLP c1c[nH+]c([C@H](N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c2cccnc2)[nH]1 ZINC000195048975 473997615 /nfs/dbraw/zinc/99/76/15/473997615.db2.gz WTTFEDYHWBMBPK-QZTJIDSGSA-N 2 2 325.460 2.748 40 0 EFABLP c1c[nH+]c([C@H](N[C@@H]2CC[N@H+](CC3CCCC3)C2)c2cccnc2)[nH]1 ZINC000195048975 473997618 /nfs/dbraw/zinc/99/76/18/473997618.db2.gz WTTFEDYHWBMBPK-QZTJIDSGSA-N 2 2 325.460 2.748 40 0 EFABLP CC(C)n1cc[nH+]c1CN1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195274303 474045356 /nfs/dbraw/zinc/04/53/56/474045356.db2.gz YIVZZEJXWDTJSK-GOSISDBHSA-N 2 2 327.476 2.813 40 0 EFABLP CC(C)n1cc[nH+]c1CN1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195274303 474045366 /nfs/dbraw/zinc/04/53/66/474045366.db2.gz YIVZZEJXWDTJSK-GOSISDBHSA-N 2 2 327.476 2.813 40 0 EFABLP C[C@H](C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1)c1cccc(Cl)c1 ZINC000195573290 474098284 /nfs/dbraw/zinc/09/82/84/474098284.db2.gz FBMVFUQOZFDTMM-CQSZACIVSA-N 2 2 337.895 2.586 40 0 EFABLP Fc1ccc(CNc2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)cc1 ZINC000228926482 474251017 /nfs/dbraw/zinc/25/10/17/474251017.db2.gz RWXJAVNPOPLSMS-UHFFFAOYSA-N 2 2 326.379 2.502 40 0 EFABLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000283221907 474343693 /nfs/dbraw/zinc/34/36/93/474343693.db2.gz SVGWSHQWTWDSEB-VQIMIIECSA-N 2 2 340.471 2.970 40 0 EFABLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000283221907 474343702 /nfs/dbraw/zinc/34/37/02/474343702.db2.gz SVGWSHQWTWDSEB-VQIMIIECSA-N 2 2 340.471 2.970 40 0 EFABLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000283221907 474343709 /nfs/dbraw/zinc/34/37/09/474343709.db2.gz SVGWSHQWTWDSEB-VQIMIIECSA-N 2 2 340.471 2.970 40 0 EFABLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000283221907 474343717 /nfs/dbraw/zinc/34/37/17/474343717.db2.gz SVGWSHQWTWDSEB-VQIMIIECSA-N 2 2 340.471 2.970 40 0 EFABLP c1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000252584997 474698431 /nfs/dbraw/zinc/69/84/31/474698431.db2.gz FLESUZALCHSUTR-CADBVGFASA-N 2 2 337.471 2.613 40 0 EFABLP c1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000252584997 474698437 /nfs/dbraw/zinc/69/84/37/474698437.db2.gz FLESUZALCHSUTR-CADBVGFASA-N 2 2 337.471 2.613 40 0 EFABLP CCCCc1[nH]c(CN2CCO[C@@H](CCc3cc[nH+]c(N)c3)C2)c[nH+]1 ZINC000257281011 474928894 /nfs/dbraw/zinc/92/88/94/474928894.db2.gz ONHFEFVXVKPGLF-KRWDZBQOSA-N 2 2 343.475 2.563 40 0 EFABLP CCCCc1[nH]cc(CN2CCO[C@@H](CCc3cc[nH+]c(N)c3)C2)[nH+]1 ZINC000257281011 474928903 /nfs/dbraw/zinc/92/89/03/474928903.db2.gz ONHFEFVXVKPGLF-KRWDZBQOSA-N 2 2 343.475 2.563 40 0 EFABLP O=c1[nH]c([C@H]2CCCC[NH2+]2)nc2c1CC[N@H+](Cc1cccs1)C2 ZINC000257287591 474932037 /nfs/dbraw/zinc/93/20/37/474932037.db2.gz PQPJZZMEDPFIOH-CQSZACIVSA-N 2 2 330.457 2.617 40 0 EFABLP O=c1[nH]c([C@H]2CCCC[NH2+]2)nc2c1CC[N@@H+](Cc1cccs1)C2 ZINC000257287591 474932044 /nfs/dbraw/zinc/93/20/44/474932044.db2.gz PQPJZZMEDPFIOH-CQSZACIVSA-N 2 2 330.457 2.617 40 0 EFABLP O=c1[nH]c([C@H]2CCCC[NH2+]2)nc2c1CC[N@H+](Cc1ccsc1)C2 ZINC000257313971 474948973 /nfs/dbraw/zinc/94/89/73/474948973.db2.gz UUWKEWXITBPPFX-CQSZACIVSA-N 2 2 330.457 2.617 40 0 EFABLP O=c1[nH]c([C@H]2CCCC[NH2+]2)nc2c1CC[N@@H+](Cc1ccsc1)C2 ZINC000257313971 474948980 /nfs/dbraw/zinc/94/89/80/474948980.db2.gz UUWKEWXITBPPFX-CQSZACIVSA-N 2 2 330.457 2.617 40 0 EFABLP CCOc1ccc(C[N@@H+]2CC[C@H](c3[nH+]c(C)cn3C)C2)cc1CO ZINC000257315668 474950331 /nfs/dbraw/zinc/95/03/31/474950331.db2.gz VCIOAGBTXLXHJT-INIZCTEOSA-N 2 2 329.444 2.609 40 0 EFABLP CCOc1ccc(C[N@H+]2CC[C@H](c3[nH+]c(C)cn3C)C2)cc1CO ZINC000257315668 474950339 /nfs/dbraw/zinc/95/03/39/474950339.db2.gz VCIOAGBTXLXHJT-INIZCTEOSA-N 2 2 329.444 2.609 40 0 EFABLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000423997915 477252711 /nfs/dbraw/zinc/25/27/11/477252711.db2.gz LYSPCLMSEOQXDY-IBGZPJMESA-N 2 2 334.423 2.518 40 0 EFABLP Cc1ccc2[nH+]c(CN3C(=O)C[C@H]4[C@@H]3CC[N@H+]4CCC(C)C)cn2c1 ZINC000585108893 479287739 /nfs/dbraw/zinc/28/77/39/479287739.db2.gz CAEZOTRPUXVVRW-ROUUACIJSA-N 2 2 340.471 2.864 40 0 EFABLP Cc1ccc2[nH+]c(CN3C(=O)C[C@H]4[C@@H]3CC[N@@H+]4CCC(C)C)cn2c1 ZINC000585108893 479287749 /nfs/dbraw/zinc/28/77/49/479287749.db2.gz CAEZOTRPUXVVRW-ROUUACIJSA-N 2 2 340.471 2.864 40 0 EFABLP CC[NH+](CC)CC[C@@H]1C[N@H+](Cc2scnc2C)Cc2ccnn21 ZINC000585112251 479288541 /nfs/dbraw/zinc/28/85/41/479288541.db2.gz LUJBHKAGZDGEJZ-MRXNPFEDSA-N 2 2 333.505 2.937 40 0 EFABLP CC[NH+](CC)CC[C@@H]1C[N@@H+](Cc2scnc2C)Cc2ccnn21 ZINC000585112251 479288550 /nfs/dbraw/zinc/28/85/50/479288550.db2.gz LUJBHKAGZDGEJZ-MRXNPFEDSA-N 2 2 333.505 2.937 40 0 EFABLP CCc1[nH]c(C[N@@H+]2CC[C@@](O)(COc3cccc(C)c3)C2)c(C)[nH+]1 ZINC000585277843 479307159 /nfs/dbraw/zinc/30/71/59/479307159.db2.gz QAZZUKPHORINDD-IBGZPJMESA-N 2 2 329.444 2.605 40 0 EFABLP CCc1[nH]c(C[N@H+]2CC[C@@](O)(COc3cccc(C)c3)C2)c(C)[nH+]1 ZINC000585277843 479307165 /nfs/dbraw/zinc/30/71/65/479307165.db2.gz QAZZUKPHORINDD-IBGZPJMESA-N 2 2 329.444 2.605 40 0 EFABLP CCc1[nH]c(C[N@@H+]2CC[C@H](Cc3cccc(F)c3)[C@H](O)C2)c(C)[nH+]1 ZINC000585278927 479307308 /nfs/dbraw/zinc/30/73/08/479307308.db2.gz IZGUOECRGIQZCR-CRAIPNDOSA-N 2 2 331.435 2.845 40 0 EFABLP CCc1[nH]c(C[N@H+]2CC[C@H](Cc3cccc(F)c3)[C@H](O)C2)c(C)[nH+]1 ZINC000585278927 479307315 /nfs/dbraw/zinc/30/73/15/479307315.db2.gz IZGUOECRGIQZCR-CRAIPNDOSA-N 2 2 331.435 2.845 40 0 EFABLP CC(=O)N1CCC[C@H]([NH2+]CC[NH+]2CCCC2)[C@@H]1Cc1ccc(C)cc1 ZINC000585284964 479308490 /nfs/dbraw/zinc/30/84/90/479308490.db2.gz JIYHZFLCDKUYNJ-SFTDATJTSA-N 2 2 343.515 2.602 40 0 EFABLP Cc1sc2c([C@@H]3CCCN(C(=O)C[NH+](C)C)C3)[nH+]c(C)n2c1C ZINC000072351269 216162342 /nfs/dbraw/zinc/16/23/42/216162342.db2.gz YOIMWYFOVSNRNJ-CQSZACIVSA-N 2 2 334.489 2.589 40 0 EFABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2Cc2cnn(C)c2C)n1 ZINC000072355510 216164486 /nfs/dbraw/zinc/16/44/86/216164486.db2.gz HNERAXXHPDBCMU-GOSISDBHSA-N 2 2 336.443 2.955 40 0 EFABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2cnn(C)c2C)n1 ZINC000072355510 216164490 /nfs/dbraw/zinc/16/44/90/216164490.db2.gz HNERAXXHPDBCMU-GOSISDBHSA-N 2 2 336.443 2.955 40 0 EFABLP C[C@@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)n1cc[nH+]c1 ZINC000073102585 216349274 /nfs/dbraw/zinc/34/92/74/216349274.db2.gz UMLIBBIDIPRTTC-AWEZNQCLSA-N 2 2 325.416 2.599 40 0 EFABLP FC(F)(F)CC[NH+]1CCC([NH2+][C@H]2COc3ccccc3C2)CC1 ZINC000195556416 241004447 /nfs/dbraw/zinc/00/44/47/241004447.db2.gz CUZUANDLKFMEMY-OAHLLOKOSA-N 2 2 328.378 2.997 40 0 EFABLP C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCCn3cc[nH+]c3)cc2)C1 ZINC000020456315 212131863 /nfs/dbraw/zinc/13/18/63/212131863.db2.gz IHXDDBTYLYCPTA-QGZVFWFLSA-N 2 2 340.471 2.935 40 0 EFABLP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCCn3cc[nH+]c3)cc2)C1 ZINC000020456315 212131864 /nfs/dbraw/zinc/13/18/64/212131864.db2.gz IHXDDBTYLYCPTA-QGZVFWFLSA-N 2 2 340.471 2.935 40 0 EFABLP Cc1cn(C)c([C@H]2CCC[N@H+](Cc3cnn4c3nc(C)cc4C)C2)[nH+]1 ZINC000257207850 244141174 /nfs/dbraw/zinc/14/11/74/244141174.db2.gz BJPKCWMXBYVKJZ-INIZCTEOSA-N 2 2 338.459 2.768 40 0 EFABLP Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3cnn4c3nc(C)cc4C)C2)[nH+]1 ZINC000257207850 244141183 /nfs/dbraw/zinc/14/11/83/244141183.db2.gz BJPKCWMXBYVKJZ-INIZCTEOSA-N 2 2 338.459 2.768 40 0 EFABLP C[N@@H+]1CCN(Cc2c[nH]c[nH+]2)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257242889 244248000 /nfs/dbraw/zinc/24/80/00/244248000.db2.gz IEPXOBNOOPWWBC-INIZCTEOSA-N 2 2 335.455 2.564 40 0 EFABLP C[N@H+]1CCN(Cc2c[nH]c[nH+]2)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257242889 244248003 /nfs/dbraw/zinc/24/80/03/244248003.db2.gz IEPXOBNOOPWWBC-INIZCTEOSA-N 2 2 335.455 2.564 40 0 EFABLP CCN1CCc2cc(-c3c[nH+]cn3[C@H](C)C[NH+]3CCOCC3)ccc21 ZINC000019719382 212056529 /nfs/dbraw/zinc/05/65/29/212056529.db2.gz YJLKYRJSRUQUTE-MRXNPFEDSA-N 2 2 340.471 2.826 40 0 EFABLP Fc1cccc(C[N@@H+]2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)c1 ZINC000019293893 212013012 /nfs/dbraw/zinc/01/30/12/212013012.db2.gz QHVLKCBFYHAIMJ-SFHVURJKSA-N 2 2 326.419 2.989 40 0 EFABLP Fc1cccc(C[N@H+]2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)c1 ZINC000019293893 212013015 /nfs/dbraw/zinc/01/30/15/212013015.db2.gz QHVLKCBFYHAIMJ-SFHVURJKSA-N 2 2 326.419 2.989 40 0 EFABLP Cc1cc(C[NH+]2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)on1 ZINC000079096544 217191445 /nfs/dbraw/zinc/19/14/45/217191445.db2.gz NMNXPGWGVJZFTJ-UHFFFAOYSA-N 2 2 326.375 2.993 40 0 EFABLP [NH3+]CC[N@H+](C[C@H]1CCCCN1C(=O)OCc1ccccc1)C1CC1 ZINC000079391870 217218207 /nfs/dbraw/zinc/21/82/07/217218207.db2.gz DJUBMRPYFLJRPC-GOSISDBHSA-N 2 2 331.460 2.601 40 0 EFABLP [NH3+]CC[N@@H+](C[C@H]1CCCCN1C(=O)OCc1ccccc1)C1CC1 ZINC000079391870 217218210 /nfs/dbraw/zinc/21/82/10/217218210.db2.gz DJUBMRPYFLJRPC-GOSISDBHSA-N 2 2 331.460 2.601 40 0 EFABLP CC(C)N(CC1CC[NH+](CC[NH3+])CC1)C(=O)OCc1ccccc1 ZINC000079411716 217222296 /nfs/dbraw/zinc/22/22/96/217222296.db2.gz PBAIWENOFXDIPM-UHFFFAOYSA-N 2 2 333.476 2.704 40 0 EFABLP COc1ccccc1C[N@@H+](Cc1c[nH+]c(C)n1C)C[C@H]1CCCO1 ZINC000012147109 211305805 /nfs/dbraw/zinc/30/58/05/211305805.db2.gz VDWKMBAJVMCNAD-GOSISDBHSA-N 2 2 329.444 2.918 40 0 EFABLP COc1ccccc1C[N@H+](Cc1c[nH+]c(C)n1C)C[C@H]1CCCO1 ZINC000012147109 211305809 /nfs/dbraw/zinc/30/58/09/211305809.db2.gz VDWKMBAJVMCNAD-GOSISDBHSA-N 2 2 329.444 2.918 40 0 EFABLP C[C@@H]([NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)c1cnccn1 ZINC000095423467 218366102 /nfs/dbraw/zinc/36/61/02/218366102.db2.gz LGZNRORHJPWERO-CQSZACIVSA-N 2 2 345.878 2.733 40 0 EFABLP Brc1cc2c(c(C[NH2+]CCCn3cc[nH+]c3)c1)OCC2 ZINC000122384502 222076391 /nfs/dbraw/zinc/07/63/91/222076391.db2.gz XPYXBOMXSSWFFX-UHFFFAOYSA-N 2 2 336.233 2.760 40 0 EFABLP COc1ccccc1C[N@H+]1Cc2ccnn2[C@H](CC[NH+]2CCCC2)C1 ZINC000248123449 278049840 /nfs/dbraw/zinc/04/98/40/278049840.db2.gz GFFVJLGHFVUKBU-LJQANCHMSA-N 2 2 340.471 2.935 40 0 EFABLP COc1ccccc1C[N@@H+]1Cc2ccnn2[C@H](CC[NH+]2CCCC2)C1 ZINC000248123449 278049841 /nfs/dbraw/zinc/04/98/41/278049841.db2.gz GFFVJLGHFVUKBU-LJQANCHMSA-N 2 2 340.471 2.935 40 0 EFABLP CC(C)[N@H+](C)C[C@H]1Cn2cc[nH+]c2CN(C(=O)c2ccsc2)C1 ZINC000096066929 279384279 /nfs/dbraw/zinc/38/42/79/279384279.db2.gz KRFZNEJUIOCBIL-AWEZNQCLSA-N 2 2 332.473 2.557 40 0 EFABLP CC(C)[N@@H+](C)C[C@H]1Cn2cc[nH+]c2CN(C(=O)c2ccsc2)C1 ZINC000096066929 279384281 /nfs/dbraw/zinc/38/42/81/279384281.db2.gz KRFZNEJUIOCBIL-AWEZNQCLSA-N 2 2 332.473 2.557 40 0 EFABLP CC(C)[N@H+](C)C[C@H]1Cn2cc[nH+]c2CN(C(=O)c2cccs2)C1 ZINC000096188327 279384381 /nfs/dbraw/zinc/38/43/81/279384381.db2.gz QZGNJXGORDDHLG-AWEZNQCLSA-N 2 2 332.473 2.557 40 0 EFABLP CC(C)[N@@H+](C)C[C@H]1Cn2cc[nH+]c2CN(C(=O)c2cccs2)C1 ZINC000096188327 279384384 /nfs/dbraw/zinc/38/43/84/279384384.db2.gz QZGNJXGORDDHLG-AWEZNQCLSA-N 2 2 332.473 2.557 40 0 EFABLP Cc1cc(NC(=O)NC[C@H]2CCC[NH2+]C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000333201890 311582080 /nfs/dbraw/zinc/58/20/80/311582080.db2.gz YABIBABFVATISL-HOTGVXAUSA-N 2 2 345.491 2.890 40 0 EFABLP Cc1c[nH+]ccc1NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000122321425 323216194 /nfs/dbraw/zinc/21/61/94/323216194.db2.gz MJTBCAWJPKPGOE-UHFFFAOYSA-N 2 2 346.475 2.746 40 0 EFABLP Cn1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4cccs4)C3)C2)cn1 ZINC000096046974 473269875 /nfs/dbraw/zinc/26/98/75/473269875.db2.gz ZYLRBUYAAOTOQP-GOSISDBHSA-N 2 2 330.501 2.970 40 0 EFABLP Cn1cc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4cccs4)C3)C2)cn1 ZINC000096046974 473269880 /nfs/dbraw/zinc/26/98/80/473269880.db2.gz ZYLRBUYAAOTOQP-GOSISDBHSA-N 2 2 330.501 2.970 40 0 EFABLP Cn1cc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)cn1 ZINC000096046974 473269885 /nfs/dbraw/zinc/26/98/85/473269885.db2.gz ZYLRBUYAAOTOQP-GOSISDBHSA-N 2 2 330.501 2.970 40 0 EFABLP Cn1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)cn1 ZINC000096046974 473269892 /nfs/dbraw/zinc/26/98/92/473269892.db2.gz ZYLRBUYAAOTOQP-GOSISDBHSA-N 2 2 330.501 2.970 40 0 EFABLP Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccnc2)CCO3)o1 ZINC000096048933 473270671 /nfs/dbraw/zinc/27/06/71/473270671.db2.gz STQDPGWSAPTNGE-UHFFFAOYSA-N 2 2 341.455 2.850 40 0 EFABLP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccnc2)CCO3)o1 ZINC000096048933 473270676 /nfs/dbraw/zinc/27/06/76/473270676.db2.gz STQDPGWSAPTNGE-UHFFFAOYSA-N 2 2 341.455 2.850 40 0 EFABLP Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccn2)CCO3)o1 ZINC000096048958 473272192 /nfs/dbraw/zinc/27/21/92/473272192.db2.gz XCQWXAHADAKBGJ-UHFFFAOYSA-N 2 2 341.455 2.850 40 0 EFABLP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccn2)CCO3)o1 ZINC000096048958 473272201 /nfs/dbraw/zinc/27/22/01/473272201.db2.gz XCQWXAHADAKBGJ-UHFFFAOYSA-N 2 2 341.455 2.850 40 0 EFABLP c1coc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccn2)CCO3)c1 ZINC000096048954 473272511 /nfs/dbraw/zinc/27/25/11/473272511.db2.gz IRLWZGTWCLEOGR-UHFFFAOYSA-N 2 2 327.428 2.542 40 0 EFABLP c1coc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccn2)CCO3)c1 ZINC000096048954 473272513 /nfs/dbraw/zinc/27/25/13/473272513.db2.gz IRLWZGTWCLEOGR-UHFFFAOYSA-N 2 2 327.428 2.542 40 0 EFABLP CC(C)[N@H+](C)C[C@H]1Cn2cc[nH+]c2CN(CCc2ccccc2)C1 ZINC000096066933 473286836 /nfs/dbraw/zinc/28/68/36/473286836.db2.gz ZYFHPBSTUWITQS-LJQANCHMSA-N 2 2 326.488 2.898 40 0 EFABLP CC(C)[N@@H+](C)C[C@H]1Cn2cc[nH+]c2CN(CCc2ccccc2)C1 ZINC000096066933 473286841 /nfs/dbraw/zinc/28/68/41/473286841.db2.gz ZYFHPBSTUWITQS-LJQANCHMSA-N 2 2 326.488 2.898 40 0 EFABLP CC(C)[N@H+](C)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2ccsc2)C1 ZINC000096066928 473287966 /nfs/dbraw/zinc/28/79/66/473287966.db2.gz KRFZNEJUIOCBIL-CQSZACIVSA-N 2 2 332.473 2.557 40 0 EFABLP CC(C)[N@@H+](C)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2ccsc2)C1 ZINC000096066928 473287971 /nfs/dbraw/zinc/28/79/71/473287971.db2.gz KRFZNEJUIOCBIL-CQSZACIVSA-N 2 2 332.473 2.557 40 0 EFABLP CC(C)[N@H+](C)C[C@@H]1Cn2cc[nH+]c2CN(CCc2ccccc2)C1 ZINC000096066932 473287987 /nfs/dbraw/zinc/28/79/87/473287987.db2.gz ZYFHPBSTUWITQS-IBGZPJMESA-N 2 2 326.488 2.898 40 0 EFABLP CC(C)[N@@H+](C)C[C@@H]1Cn2cc[nH+]c2CN(CCc2ccccc2)C1 ZINC000096066932 473287991 /nfs/dbraw/zinc/28/79/91/473287991.db2.gz ZYFHPBSTUWITQS-IBGZPJMESA-N 2 2 326.488 2.898 40 0 EFABLP Cc1noc(C)c1C[N@@H+]1C[C@H]2C[NH+](Cc3cccc(F)c3)C[C@H]2C1 ZINC000096161687 473320197 /nfs/dbraw/zinc/32/01/97/473320197.db2.gz LRFJJCAOFAPBML-CALCHBBNSA-N 2 2 329.419 2.994 40 0 EFABLP Cc1noc(C)c1C[N@H+]1C[C@H]2C[NH+](Cc3cccc(F)c3)C[C@H]2C1 ZINC000096161687 473320200 /nfs/dbraw/zinc/32/02/00/473320200.db2.gz LRFJJCAOFAPBML-CALCHBBNSA-N 2 2 329.419 2.994 40 0 EFABLP Cc1noc(C)c1C[NH+]1C[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]2C1 ZINC000096161687 473320208 /nfs/dbraw/zinc/32/02/08/473320208.db2.gz LRFJJCAOFAPBML-CALCHBBNSA-N 2 2 329.419 2.994 40 0 EFABLP Cc1noc(C)c1C[NH+]1C[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]2C1 ZINC000096161687 473320213 /nfs/dbraw/zinc/32/02/13/473320213.db2.gz LRFJJCAOFAPBML-CALCHBBNSA-N 2 2 329.419 2.994 40 0 EFABLP C[N@H+](Cc1ccco1)Cc1cnc2n1CC[NH+](Cc1ccco1)CC2 ZINC000096197089 473332336 /nfs/dbraw/zinc/33/23/36/473332336.db2.gz OXALRNRBDHYANR-UHFFFAOYSA-N 2 2 340.427 2.759 40 0 EFABLP C[N@@H+](Cc1ccco1)Cc1cnc2n1CC[NH+](Cc1ccco1)CC2 ZINC000096197089 473332342 /nfs/dbraw/zinc/33/23/42/473332342.db2.gz OXALRNRBDHYANR-UHFFFAOYSA-N 2 2 340.427 2.759 40 0 EFABLP C[NH+](Cc1ccco1)Cc1cnc2n1CC[N@@H+](Cc1ccco1)CC2 ZINC000096197089 473332350 /nfs/dbraw/zinc/33/23/50/473332350.db2.gz OXALRNRBDHYANR-UHFFFAOYSA-N 2 2 340.427 2.759 40 0 EFABLP C[NH+](Cc1ccco1)Cc1cnc2n1CC[N@H+](Cc1ccco1)CC2 ZINC000096197089 473332358 /nfs/dbraw/zinc/33/23/58/473332358.db2.gz OXALRNRBDHYANR-UHFFFAOYSA-N 2 2 340.427 2.759 40 0 EFABLP c1csc(C[N@@H+]2CC[C@@]3(C2)COCC[NH+](Cc2ccccn2)C3)c1 ZINC000096202175 473336962 /nfs/dbraw/zinc/33/69/62/473336962.db2.gz JHQLOCGHGWXDBY-IBGZPJMESA-N 2 2 343.496 2.868 40 0 EFABLP c1csc(C[N@H+]2CC[C@@]3(C2)COCC[NH+](Cc2ccccn2)C3)c1 ZINC000096202175 473336967 /nfs/dbraw/zinc/33/69/67/473336967.db2.gz JHQLOCGHGWXDBY-IBGZPJMESA-N 2 2 343.496 2.868 40 0 EFABLP c1csc(C[NH+]2CC[C@@]3(C2)COCC[N@H+](Cc2ccccn2)C3)c1 ZINC000096202175 473336973 /nfs/dbraw/zinc/33/69/73/473336973.db2.gz JHQLOCGHGWXDBY-IBGZPJMESA-N 2 2 343.496 2.868 40 0 EFABLP c1csc(C[NH+]2CC[C@@]3(C2)COCC[N@@H+](Cc2ccccn2)C3)c1 ZINC000096202175 473336979 /nfs/dbraw/zinc/33/69/79/473336979.db2.gz JHQLOCGHGWXDBY-IBGZPJMESA-N 2 2 343.496 2.868 40 0 EFABLP c1csc(C[N@@H+]2CC[C@]3(C2)COCC[NH+](Cc2cccnc2)C3)c1 ZINC000096202178 473337866 /nfs/dbraw/zinc/33/78/66/473337866.db2.gz WZIFMGPUUPMFOC-LJQANCHMSA-N 2 2 343.496 2.868 40 0 EFABLP c1csc(C[N@H+]2CC[C@]3(C2)COCC[NH+](Cc2cccnc2)C3)c1 ZINC000096202178 473337872 /nfs/dbraw/zinc/33/78/72/473337872.db2.gz WZIFMGPUUPMFOC-LJQANCHMSA-N 2 2 343.496 2.868 40 0 EFABLP c1csc(C[NH+]2CC[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC000096202178 473337882 /nfs/dbraw/zinc/33/78/82/473337882.db2.gz WZIFMGPUUPMFOC-LJQANCHMSA-N 2 2 343.496 2.868 40 0 EFABLP c1csc(C[NH+]2CC[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC000096202178 473337892 /nfs/dbraw/zinc/33/78/92/473337892.db2.gz WZIFMGPUUPMFOC-LJQANCHMSA-N 2 2 343.496 2.868 40 0 EFABLP COC[C@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1ccc(Cl)c(F)c1)C2 ZINC000096215781 473347616 /nfs/dbraw/zinc/34/76/16/473347616.db2.gz AHYAYXFPUGXVNK-RHSMWYFYSA-N 2 2 326.843 2.879 40 0 EFABLP COC[C@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1ccc(Cl)c(F)c1)C2 ZINC000096215781 473347622 /nfs/dbraw/zinc/34/76/22/473347622.db2.gz AHYAYXFPUGXVNK-RHSMWYFYSA-N 2 2 326.843 2.879 40 0 EFABLP COC[C@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1ccc(Cl)c(F)c1)C2 ZINC000096215781 473347625 /nfs/dbraw/zinc/34/76/25/473347625.db2.gz AHYAYXFPUGXVNK-RHSMWYFYSA-N 2 2 326.843 2.879 40 0 EFABLP COC[C@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1ccc(Cl)c(F)c1)C2 ZINC000096215781 473347630 /nfs/dbraw/zinc/34/76/30/473347630.db2.gz AHYAYXFPUGXVNK-RHSMWYFYSA-N 2 2 326.843 2.879 40 0 EFABLP COc1ccc(C[N@@H+]2C[C@H]3OC[C@@H](COc4cc[nH+]cc4)[C@H]3C2)cc1 ZINC000096220250 473354100 /nfs/dbraw/zinc/35/41/00/473354100.db2.gz WCIFCUNQLJVTMB-NSISKUIASA-N 2 2 340.423 2.616 40 0 EFABLP COc1ccc(C[N@H+]2C[C@H]3OC[C@@H](COc4cc[nH+]cc4)[C@H]3C2)cc1 ZINC000096220250 473354104 /nfs/dbraw/zinc/35/41/04/473354104.db2.gz WCIFCUNQLJVTMB-NSISKUIASA-N 2 2 340.423 2.616 40 0 EFABLP c1cncc(-c2nccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)n2)c1 ZINC000012670923 471788821 /nfs/dbraw/zinc/78/88/21/471788821.db2.gz UZOINTKFTAANSM-UHFFFAOYSA-N 2 2 337.471 2.989 40 0 EFABLP C[C@@H](O)C[NH2+]CC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000022075058 472010288 /nfs/dbraw/zinc/01/02/88/472010288.db2.gz VBCQRLHVCCOGJE-OAHLLOKOSA-N 2 2 348.874 2.979 40 0 EFABLP COc1ccc(/C=C/c2cccc[n+]2C)cc1C[NH+]1CCOCC1 ZINC000026441361 472135838 /nfs/dbraw/zinc/13/58/38/472135838.db2.gz XVYNYNQGRTXNBD-SOFGYWHQSA-N 2 2 325.432 2.522 40 0 EFABLP O=C(NCCC[NH+]1CCCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044908119 472351306 /nfs/dbraw/zinc/35/13/06/472351306.db2.gz HZYPKZPKVMGACV-UHFFFAOYSA-N 2 2 326.444 2.537 40 0 EFABLP Cc1[nH+]ccn1-c1cncc(NCc2ccccc2-n2cc[nH+]c2)n1 ZINC000097104667 472448420 /nfs/dbraw/zinc/44/84/20/472448420.db2.gz YTJXGFNMOUMBNA-UHFFFAOYSA-N 2 2 331.383 2.769 40 0 EFABLP COC(=O)[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004182 472577954 /nfs/dbraw/zinc/57/79/54/472577954.db2.gz RPDBQORYDZWVDK-KSSFIOAISA-N 2 2 345.418 2.728 40 0 EFABLP COC(=O)[C@H](c1ccccc1F)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004182 472577959 /nfs/dbraw/zinc/57/79/59/472577959.db2.gz RPDBQORYDZWVDK-KSSFIOAISA-N 2 2 345.418 2.728 40 0 EFABLP COC(=O)[C@H](c1ccccc1F)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004183 472578994 /nfs/dbraw/zinc/57/89/94/472578994.db2.gz RPDBQORYDZWVDK-KDOFPFPSSA-N 2 2 345.418 2.728 40 0 EFABLP COC(=O)[C@H](c1ccccc1F)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004183 472578999 /nfs/dbraw/zinc/57/89/99/472578999.db2.gz RPDBQORYDZWVDK-KDOFPFPSSA-N 2 2 345.418 2.728 40 0 EFABLP CC(C)[N@H+](C)CCNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000096439888 473418480 /nfs/dbraw/zinc/41/84/80/473418480.db2.gz GYXGQRAMSJKWEF-OAHLLOKOSA-N 2 2 329.448 2.573 40 0 EFABLP CC(C)[N@@H+](C)CCNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000096439888 473418486 /nfs/dbraw/zinc/41/84/86/473418486.db2.gz GYXGQRAMSJKWEF-OAHLLOKOSA-N 2 2 329.448 2.573 40 0 EFABLP CN(Cc1[nH+]ccn1C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000096491903 473447811 /nfs/dbraw/zinc/44/78/11/473447811.db2.gz IKHPLEYFMPXTSH-HNNXBMFYSA-N 2 2 349.866 2.518 40 0 EFABLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nc(C)no2)CC1 ZINC000096491339 473448298 /nfs/dbraw/zinc/44/82/98/473448298.db2.gz KXOQNGWKWWUVEJ-CYBMUJFWSA-N 2 2 347.438 2.510 40 0 EFABLP CN(C(=O)C1CC[NH+](CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000096493099 473448803 /nfs/dbraw/zinc/44/88/03/473448803.db2.gz APQSGLXPEREDEC-UHFFFAOYSA-N 2 2 326.444 2.648 40 0 EFABLP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cccc(O)c2)nc[nH+]1 ZINC000194921540 473975245 /nfs/dbraw/zinc/97/52/45/473975245.db2.gz VVFGZQLJTZRXHY-HIFRSBDPSA-N 2 2 327.432 2.544 40 0 EFABLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cccc(O)c2)nc[nH+]1 ZINC000194921564 473976230 /nfs/dbraw/zinc/97/62/30/473976230.db2.gz VVFGZQLJTZRXHY-UKRRQHHQSA-N 2 2 327.432 2.544 40 0 EFABLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C)C2 ZINC000195554486 474094601 /nfs/dbraw/zinc/09/46/01/474094601.db2.gz QCRFSTKKDNANQQ-JYJNAYRXSA-N 2 2 348.491 2.884 40 0 EFABLP COc1cccc2c(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)cc[nH+]c12 ZINC000225644597 474232541 /nfs/dbraw/zinc/23/25/41/474232541.db2.gz BVCXKMRVYNXTSL-OAHLLOKOSA-N 2 2 341.455 2.933 40 0 EFABLP COc1cccc2c(N3CC[N@H+](C4CCOCC4)C[C@H]3C)cc[nH+]c12 ZINC000225644597 474232545 /nfs/dbraw/zinc/23/25/45/474232545.db2.gz BVCXKMRVYNXTSL-OAHLLOKOSA-N 2 2 341.455 2.933 40 0 EFABLP c1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000230463196 474261057 /nfs/dbraw/zinc/26/10/57/474261057.db2.gz FLESUZALCHSUTR-ZSYWTGECSA-N 2 2 337.471 2.613 40 0 EFABLP c1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000230463196 474261061 /nfs/dbraw/zinc/26/10/61/474261061.db2.gz FLESUZALCHSUTR-ZSYWTGECSA-N 2 2 337.471 2.613 40 0 EFABLP Cc1ccc(C[N@H+]2Cc3ccnn3C[C@@H](CNc3cccc[nH+]3)C2)o1 ZINC000248105712 474261065 /nfs/dbraw/zinc/26/10/65/474261065.db2.gz PBGAIJSFZGRZBQ-INIZCTEOSA-N 2 2 337.427 2.924 40 0 EFABLP Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@@H](CNc3cccc[nH+]3)C2)o1 ZINC000248105712 474261071 /nfs/dbraw/zinc/26/10/71/474261071.db2.gz PBGAIJSFZGRZBQ-INIZCTEOSA-N 2 2 337.427 2.924 40 0 EFABLP c1snnc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000253370136 474727780 /nfs/dbraw/zinc/72/77/80/474727780.db2.gz MOODXJKMMJJRAQ-CGTJXYLNSA-N 2 2 328.485 2.928 40 0 EFABLP c1snnc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000253370136 474727788 /nfs/dbraw/zinc/72/77/88/474727788.db2.gz MOODXJKMMJJRAQ-CGTJXYLNSA-N 2 2 328.485 2.928 40 0 EFABLP Cc1ccc(C[NH+]2CC[C@@H](F)[C@@]3(CC[N@@H+](Cc4cnn(C)c4)C3)C2)o1 ZINC000306135412 474809937 /nfs/dbraw/zinc/80/99/37/474809937.db2.gz OQAPZIMNYAKCNM-MOPGFXCFSA-N 2 2 346.450 2.758 40 0 EFABLP Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@]3(CC[NH+](Cc4cnn(C)c4)C3)C2)o1 ZINC000306135412 474809955 /nfs/dbraw/zinc/80/99/55/474809955.db2.gz OQAPZIMNYAKCNM-MOPGFXCFSA-N 2 2 346.450 2.758 40 0 EFABLP Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@]3(CC[NH+](Cc4cnn(C)c4)C3)C2)o1 ZINC000306135412 474809959 /nfs/dbraw/zinc/80/99/59/474809959.db2.gz OQAPZIMNYAKCNM-MOPGFXCFSA-N 2 2 346.450 2.758 40 0 EFABLP CC[NH+](CC)CC[C@@H]1CN(Cc2scnc2C)Cc2c[nH+]cn21 ZINC000306143043 474811204 /nfs/dbraw/zinc/81/12/04/474811204.db2.gz XRONDQFKUSUKSV-OAHLLOKOSA-N 2 2 333.505 2.937 40 0 EFABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@H+]2Cc2nccn2C(C)C)n1 ZINC000257278634 474926993 /nfs/dbraw/zinc/92/69/93/474926993.db2.gz OCZSQMXNIFKDAL-KRWDZBQOSA-N 2 2 342.491 2.961 40 0 EFABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@@H+]2Cc2nccn2C(C)C)n1 ZINC000257278634 474927000 /nfs/dbraw/zinc/92/70/00/474927000.db2.gz OCZSQMXNIFKDAL-KRWDZBQOSA-N 2 2 342.491 2.961 40 0 EFABLP Cc1cc(NC2CC3(C2)CC[N@H+](Cc2ncccc2F)C3)nc[nH+]1 ZINC000257280411 474930637 /nfs/dbraw/zinc/93/06/37/474930637.db2.gz OKSQWYRXHJQISI-UHFFFAOYSA-N 2 2 327.407 2.786 40 0 EFABLP Cc1cc(NC2CC3(C2)CC[N@@H+](Cc2ncccc2F)C3)nc[nH+]1 ZINC000257280411 474930649 /nfs/dbraw/zinc/93/06/49/474930649.db2.gz OKSQWYRXHJQISI-UHFFFAOYSA-N 2 2 327.407 2.786 40 0 EFABLP Cc1cncc(C[N@H+]2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)c1 ZINC000257297161 474938771 /nfs/dbraw/zinc/93/87/71/474938771.db2.gz RGDMEFAHZUCSPY-SFHVURJKSA-N 2 2 325.460 2.887 40 0 EFABLP Cc1cncc(C[N@@H+]2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)c1 ZINC000257297161 474938780 /nfs/dbraw/zinc/93/87/80/474938780.db2.gz RGDMEFAHZUCSPY-SFHVURJKSA-N 2 2 325.460 2.887 40 0 EFABLP Cc1[nH+]cc(-c2nccnc2C2CC[NH+](C3CCOCC3)CC2)n1C ZINC000257318661 474951436 /nfs/dbraw/zinc/95/14/36/474951436.db2.gz VOXRLUJLEITVGJ-UHFFFAOYSA-N 2 2 341.459 2.544 40 0 EFABLP Cc1cc(N(C)C)cc([C@H]2C[N@H+](Cc3ncccc3C)CCO2)[nH+]1 ZINC000257322739 474953013 /nfs/dbraw/zinc/95/30/13/474953013.db2.gz WHEOADQWXCHLHX-LJQANCHMSA-N 2 2 326.444 2.733 40 0 EFABLP Cc1cc(N(C)C)cc([C@H]2C[N@@H+](Cc3ncccc3C)CCO2)[nH+]1 ZINC000257322739 474953021 /nfs/dbraw/zinc/95/30/21/474953021.db2.gz WHEOADQWXCHLHX-LJQANCHMSA-N 2 2 326.444 2.733 40 0 EFABLP Cc1cc(N)cc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)[nH+]1 ZINC000257323548 474953436 /nfs/dbraw/zinc/95/34/36/474953436.db2.gz WKUZFSSSPTYREO-IBGZPJMESA-N 2 2 349.438 2.936 40 0 EFABLP Cc1cc(N)cc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)[nH+]1 ZINC000257323548 474953439 /nfs/dbraw/zinc/95/34/39/474953439.db2.gz WKUZFSSSPTYREO-IBGZPJMESA-N 2 2 349.438 2.936 40 0 EFABLP Cc1cncc(C[N@@H+]2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)c1 ZINC000257338055 474963652 /nfs/dbraw/zinc/96/36/52/474963652.db2.gz YVPDIZXOEBMNEK-KRWDZBQOSA-N 2 2 334.427 2.745 40 0 EFABLP Cc1cncc(C[N@H+]2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)c1 ZINC000257338055 474963665 /nfs/dbraw/zinc/96/36/65/474963665.db2.gz YVPDIZXOEBMNEK-KRWDZBQOSA-N 2 2 334.427 2.745 40 0 EFABLP Cc1cc(N(C)C2CC3(C2)CC[N@H+](Cc2cncs2)C3)nc[nH+]1 ZINC000257343435 474965516 /nfs/dbraw/zinc/96/55/16/474965516.db2.gz ZTAXLVJNAAPKRH-UHFFFAOYSA-N 2 2 329.473 2.732 40 0 EFABLP Cc1cc(N(C)C2CC3(C2)CC[N@@H+](Cc2cncs2)C3)nc[nH+]1 ZINC000257343435 474965524 /nfs/dbraw/zinc/96/55/24/474965524.db2.gz ZTAXLVJNAAPKRH-UHFFFAOYSA-N 2 2 329.473 2.732 40 0 EFABLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000423997917 477253353 /nfs/dbraw/zinc/25/33/53/477253353.db2.gz LYSPCLMSEOQXDY-LJQANCHMSA-N 2 2 334.423 2.518 40 0 EFABLP CC[NH+](CC)CC[C@@H]1CN(C(=O)c2cccc(O)c2)Cc2c[nH+]cn21 ZINC000585096293 479280318 /nfs/dbraw/zinc/28/03/18/479280318.db2.gz GCMUSEHEKWKADS-MRXNPFEDSA-N 2 2 342.443 2.518 40 0 EFABLP C[N@@H+](Cc1cccnc1)C[C@@H]1CCC2(C[NH+](Cc3ccoc3)C2)OC1 ZINC000585103460 479285035 /nfs/dbraw/zinc/28/50/35/479285035.db2.gz BHVYMCAUAVFSBY-SFHVURJKSA-N 2 2 341.455 2.788 40 0 EFABLP C[N@H+](Cc1cccnc1)C[C@@H]1CCC2(C[NH+](Cc3ccoc3)C2)OC1 ZINC000585103460 479285040 /nfs/dbraw/zinc/28/50/40/479285040.db2.gz BHVYMCAUAVFSBY-SFHVURJKSA-N 2 2 341.455 2.788 40 0 EFABLP C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CC[C@H](c2[nH]cc[nH+]2)C1 ZINC000585141154 479299335 /nfs/dbraw/zinc/29/93/35/479299335.db2.gz QKYRMNRCSUVWMN-NEPJUHHUSA-N 2 2 341.440 2.836 40 0 EFABLP C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CC[C@H](c2[nH]cc[nH+]2)C1 ZINC000585141154 479299343 /nfs/dbraw/zinc/29/93/43/479299343.db2.gz QKYRMNRCSUVWMN-NEPJUHHUSA-N 2 2 341.440 2.836 40 0 EFABLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)Cc3ccn(C)n3)cc2)C[C@H](C)O1 ZINC000585142262 479299849 /nfs/dbraw/zinc/29/98/49/479299849.db2.gz RXSJWYSTDPAQHM-CALCHBBNSA-N 2 2 342.487 2.661 40 0 EFABLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)Cc3ccn(C)n3)cc2)C[C@H](C)O1 ZINC000585142262 479299852 /nfs/dbraw/zinc/29/98/52/479299852.db2.gz RXSJWYSTDPAQHM-CALCHBBNSA-N 2 2 342.487 2.661 40 0 EFABLP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)Cc3ccn(C)n3)cc2)C[C@H](C)O1 ZINC000585142262 479299857 /nfs/dbraw/zinc/29/98/57/479299857.db2.gz RXSJWYSTDPAQHM-CALCHBBNSA-N 2 2 342.487 2.661 40 0 EFABLP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)Cc3ccn(C)n3)cc2)C[C@H](C)O1 ZINC000585142262 479299862 /nfs/dbraw/zinc/29/98/62/479299862.db2.gz RXSJWYSTDPAQHM-CALCHBBNSA-N 2 2 342.487 2.661 40 0 EFABLP O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000585285262 479308128 /nfs/dbraw/zinc/30/81/28/479308128.db2.gz NRRPOWUVIULWKP-IPMKNSEASA-N 2 2 336.451 2.562 40 0 EFABLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(F)cc2C)nc[nH+]1 ZINC000109069848 724704557 /nfs/dbraw/zinc/70/45/57/724704557.db2.gz ILQULOVLUGSPGQ-INIZCTEOSA-N 2 2 329.423 2.724 40 0 EFABLP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072355434 216165105 /nfs/dbraw/zinc/16/51/05/216165105.db2.gz XHEFFTNOTGMBAR-KRWDZBQOSA-N 2 2 334.427 2.745 40 0 EFABLP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072355434 216165109 /nfs/dbraw/zinc/16/51/09/216165109.db2.gz XHEFFTNOTGMBAR-KRWDZBQOSA-N 2 2 334.427 2.745 40 0 EFABLP CCc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072350558 216162918 /nfs/dbraw/zinc/16/29/18/216162918.db2.gz FUQDPRGPTWJRAU-KRWDZBQOSA-N 2 2 348.454 2.999 40 0 EFABLP CCc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000072350558 216162919 /nfs/dbraw/zinc/16/29/19/216162919.db2.gz FUQDPRGPTWJRAU-KRWDZBQOSA-N 2 2 348.454 2.999 40 0 EFABLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2cnccn2)C1 ZINC000225718894 242002274 /nfs/dbraw/zinc/00/22/74/242002274.db2.gz WBYZORUJUFCYPI-HUUCEWRRSA-N 2 2 331.489 2.756 40 0 EFABLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2cnccn2)C1 ZINC000225718894 242002280 /nfs/dbraw/zinc/00/22/80/242002280.db2.gz WBYZORUJUFCYPI-HUUCEWRRSA-N 2 2 331.489 2.756 40 0 EFABLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cnccn2)C1 ZINC000225718894 242002283 /nfs/dbraw/zinc/00/22/83/242002283.db2.gz WBYZORUJUFCYPI-HUUCEWRRSA-N 2 2 331.489 2.756 40 0 EFABLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cnccn2)C1 ZINC000225718894 242002289 /nfs/dbraw/zinc/00/22/89/242002289.db2.gz WBYZORUJUFCYPI-HUUCEWRRSA-N 2 2 331.489 2.756 40 0 EFABLP Cc1[nH+]c[nH]c1C[N@@H+]1CC[C@@H]2O[C@@](C)(COc3cccnc3)C[C@@H]2C1 ZINC000257221645 244185604 /nfs/dbraw/zinc/18/56/04/244185604.db2.gz DPZQXJOFBYMHPR-AYOQOUSVSA-N 2 2 342.443 2.562 40 0 EFABLP Cc1[nH+]c[nH]c1C[N@H+]1CC[C@@H]2O[C@@](C)(COc3cccnc3)C[C@@H]2C1 ZINC000257221645 244185608 /nfs/dbraw/zinc/18/56/08/244185608.db2.gz DPZQXJOFBYMHPR-AYOQOUSVSA-N 2 2 342.443 2.562 40 0 EFABLP Cc1cccnc1C[N@@H+]1CCO[C@H](CCc2cc[nH+]c(N(C)C)c2)C1 ZINC000257235235 244226169 /nfs/dbraw/zinc/22/61/69/244226169.db2.gz GWZWCDSIAMLVKH-GOSISDBHSA-N 2 2 340.471 2.685 40 0 EFABLP Cc1cccnc1C[N@H+]1CCO[C@H](CCc2cc[nH+]c(N(C)C)c2)C1 ZINC000257235235 244226174 /nfs/dbraw/zinc/22/61/74/244226174.db2.gz GWZWCDSIAMLVKH-GOSISDBHSA-N 2 2 340.471 2.685 40 0 EFABLP CCCn1cc[nH+]c1CN1CCO[C@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257242593 244247244 /nfs/dbraw/zinc/24/72/44/244247244.db2.gz IDGOXKDWWWWBJL-SFHVURJKSA-N 2 2 343.475 2.636 40 0 EFABLP CCN1CCc2cc(-c3c[nH+]cn3[C@@H](C)C[NH+]3CCOCC3)ccc21 ZINC000019719381 212057464 /nfs/dbraw/zinc/05/74/64/212057464.db2.gz YJLKYRJSRUQUTE-INIZCTEOSA-N 2 2 340.471 2.826 40 0 EFABLP CCn1c[nH+]cc1CN(Cc1ccccn1)C[C@@H]1CCC[N@@H+]1CC ZINC000019578566 212047181 /nfs/dbraw/zinc/04/71/81/212047181.db2.gz VRODXLXMQPMBSJ-SFHVURJKSA-N 2 2 327.476 2.785 40 0 EFABLP CCn1c[nH+]cc1CN(Cc1ccccn1)C[C@@H]1CCC[N@H+]1CC ZINC000019578566 212047184 /nfs/dbraw/zinc/04/71/84/212047184.db2.gz VRODXLXMQPMBSJ-SFHVURJKSA-N 2 2 327.476 2.785 40 0 EFABLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000092666333 218156992 /nfs/dbraw/zinc/15/69/92/218156992.db2.gz GOGIOPOTUBKFRB-ROUUACIJSA-N 2 2 347.551 2.629 40 0 EFABLP Cc1cc(N2CCC([N@H+](C)CCn3ccnc3)CC2)nc(C(C)C)[nH+]1 ZINC000096487479 544559384 /nfs/dbraw/zinc/55/93/84/544559384.db2.gz WURDGDDOCVBHEH-UHFFFAOYSA-N 2 2 342.491 2.706 40 0 EFABLP Cc1cc(N2CCC([N@@H+](C)CCn3ccnc3)CC2)nc(C(C)C)[nH+]1 ZINC000096487479 544559389 /nfs/dbraw/zinc/55/93/89/544559389.db2.gz WURDGDDOCVBHEH-UHFFFAOYSA-N 2 2 342.491 2.706 40 0 EFABLP Cc1cc(N2CCC([N@H+](C)CCn3cc[nH+]c3)CC2)nc(C(C)C)[nH+]1 ZINC000096487479 544559394 /nfs/dbraw/zinc/55/93/94/544559394.db2.gz WURDGDDOCVBHEH-UHFFFAOYSA-N 3 2 342.491 2.706 40 0 EFABLP Cc1cc(N2CCC([N@@H+](C)CCn3cc[nH+]c3)CC2)nc(C(C)C)[nH+]1 ZINC000096487479 544559398 /nfs/dbraw/zinc/55/93/98/544559398.db2.gz WURDGDDOCVBHEH-UHFFFAOYSA-N 3 2 342.491 2.706 40 0 EFABLP Cn1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccsc4)C3)C2)cn1 ZINC000096046978 473270163 /nfs/dbraw/zinc/27/01/63/473270163.db2.gz XCPBOJIXTOAVRZ-GOSISDBHSA-N 2 2 330.501 2.970 40 0 EFABLP Cn1cc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccsc4)C3)C2)cn1 ZINC000096046978 473270171 /nfs/dbraw/zinc/27/01/71/473270171.db2.gz XCPBOJIXTOAVRZ-GOSISDBHSA-N 2 2 330.501 2.970 40 0 EFABLP Cn1cc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccsc4)C3)C2)cn1 ZINC000096046978 473270176 /nfs/dbraw/zinc/27/01/76/473270176.db2.gz XCPBOJIXTOAVRZ-GOSISDBHSA-N 2 2 330.501 2.970 40 0 EFABLP Cn1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccsc4)C3)C2)cn1 ZINC000096046978 473270182 /nfs/dbraw/zinc/27/01/82/473270182.db2.gz XCPBOJIXTOAVRZ-GOSISDBHSA-N 2 2 330.501 2.970 40 0 EFABLP c1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccn2)CCO3)co1 ZINC000096048956 473270775 /nfs/dbraw/zinc/27/07/75/473270775.db2.gz HXBSGEAMJREMNK-UHFFFAOYSA-N 2 2 327.428 2.542 40 0 EFABLP c1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccn2)CCO3)co1 ZINC000096048956 473270782 /nfs/dbraw/zinc/27/07/82/473270782.db2.gz HXBSGEAMJREMNK-UHFFFAOYSA-N 2 2 327.428 2.542 40 0 EFABLP Cc1ccc(C[NH+]2CC[C@H](F)[C@]3(CC[N@@H+](Cc4cnn(C)c4)C3)C2)o1 ZINC000096078740 473291389 /nfs/dbraw/zinc/29/13/89/473291389.db2.gz OQAPZIMNYAKCNM-RBUKOAKNSA-N 2 2 346.450 2.758 40 0 EFABLP Cc1ccc(C[NH+]2CC[C@H](F)[C@]3(CC[N@H+](Cc4cnn(C)c4)C3)C2)o1 ZINC000096078740 473291396 /nfs/dbraw/zinc/29/13/96/473291396.db2.gz OQAPZIMNYAKCNM-RBUKOAKNSA-N 2 2 346.450 2.758 40 0 EFABLP Cc1ccc(C[N@@H+]2CC[C@H](F)[C@]3(CC[NH+](Cc4cnn(C)c4)C3)C2)o1 ZINC000096078740 473291405 /nfs/dbraw/zinc/29/14/05/473291405.db2.gz OQAPZIMNYAKCNM-RBUKOAKNSA-N 2 2 346.450 2.758 40 0 EFABLP Cc1ccc(C[N@H+]2CC[C@H](F)[C@]3(CC[NH+](Cc4cnn(C)c4)C3)C2)o1 ZINC000096078740 473291411 /nfs/dbraw/zinc/29/14/11/473291411.db2.gz OQAPZIMNYAKCNM-RBUKOAKNSA-N 2 2 346.450 2.758 40 0 EFABLP c1cc(C[N@@H+]2CCOC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)cs1 ZINC000096202239 473336841 /nfs/dbraw/zinc/33/68/41/473336841.db2.gz CFGUUHJPVMDXRR-SFHVURJKSA-N 2 2 329.469 2.872 40 0 EFABLP c1cc(C[N@H+]2CCOC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)cs1 ZINC000096202239 473336849 /nfs/dbraw/zinc/33/68/49/473336849.db2.gz CFGUUHJPVMDXRR-SFHVURJKSA-N 2 2 329.469 2.872 40 0 EFABLP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](Cc4ccsc4)C3)O2)CC1 ZINC000096207510 473343127 /nfs/dbraw/zinc/34/31/27/473343127.db2.gz MJOOPPGFJDCGGB-RTBURBONSA-N 2 2 349.544 2.509 40 0 EFABLP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](Cc4ccsc4)C3)O2)CC1 ZINC000096207510 473343133 /nfs/dbraw/zinc/34/31/33/473343133.db2.gz MJOOPPGFJDCGGB-RTBURBONSA-N 2 2 349.544 2.509 40 0 EFABLP c1csc(C[N@@H+]2CC[C@]3(C2)C[C@H](Nc2cccc[nH+]2)CCO3)n1 ZINC000096209222 473345327 /nfs/dbraw/zinc/34/53/27/473345327.db2.gz ATZIIQXYDBEOOZ-RHSMWYFYSA-N 2 2 330.457 2.774 40 0 EFABLP c1csc(C[N@H+]2CC[C@]3(C2)C[C@H](Nc2cccc[nH+]2)CCO3)n1 ZINC000096209222 473345335 /nfs/dbraw/zinc/34/53/35/473345335.db2.gz ATZIIQXYDBEOOZ-RHSMWYFYSA-N 2 2 330.457 2.774 40 0 EFABLP Cc1ccsc1C[N@@H+]1C[C@H]2OC[C@@H](COc3cc[nH+]cc3)[C@H]2C1 ZINC000096216559 473349015 /nfs/dbraw/zinc/34/90/15/473349015.db2.gz ZFNCDBKVEXEACW-DJIMGWMZSA-N 2 2 330.453 2.977 40 0 EFABLP Cc1ccsc1C[N@H+]1C[C@H]2OC[C@@H](COc3cc[nH+]cc3)[C@H]2C1 ZINC000096216559 473349026 /nfs/dbraw/zinc/34/90/26/473349026.db2.gz ZFNCDBKVEXEACW-DJIMGWMZSA-N 2 2 330.453 2.977 40 0 EFABLP Cn1nccc1C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000019658618 471983084 /nfs/dbraw/zinc/98/30/84/471983084.db2.gz NYWPEGDCTNAFTD-UHFFFAOYSA-N 2 2 341.846 2.944 40 0 EFABLP C[C@H](C[NH+]1CCOCC1)n1c[nH+]cc1-c1ccc2c(c1)CCCN2C ZINC000019719945 471984674 /nfs/dbraw/zinc/98/46/74/471984674.db2.gz MQOJIJPCRNXALD-MRXNPFEDSA-N 2 2 340.471 2.826 40 0 EFABLP Cc1noc(C)c1C[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000027545019 472181291 /nfs/dbraw/zinc/18/12/91/472181291.db2.gz CJJDXZTYMKFXQM-UHFFFAOYSA-N 2 2 329.448 2.835 40 0 EFABLP COc1ccc(CCNC(=[NH2+])NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000057752156 472470703 /nfs/dbraw/zinc/47/07/03/472470703.db2.gz UNOPHEOWEALQFW-MRXNPFEDSA-N 2 2 346.500 2.716 40 0 EFABLP COc1ccc2cc(C[N@H+](C)C[C@H]3CC[NH+](C)C3)c(OC)nc2c1 ZINC000057811498 472477846 /nfs/dbraw/zinc/47/78/46/472477846.db2.gz HUKWIGPYICQGLU-AWEZNQCLSA-N 2 2 329.444 2.636 40 0 EFABLP COc1ccc2cc(C[N@@H+](C)C[C@H]3CC[NH+](C)C3)c(OC)nc2c1 ZINC000057811498 472477854 /nfs/dbraw/zinc/47/78/54/472477854.db2.gz HUKWIGPYICQGLU-AWEZNQCLSA-N 2 2 329.444 2.636 40 0 EFABLP COc1ccc2cc(C[NH+](C)C[C@H]3CC[N@H+](C)C3)c(OC)nc2c1 ZINC000057811498 472477857 /nfs/dbraw/zinc/47/78/57/472477857.db2.gz HUKWIGPYICQGLU-AWEZNQCLSA-N 2 2 329.444 2.636 40 0 EFABLP COc1ccc2cc(C[NH+](C)C[C@H]3CC[N@@H+](C)C3)c(OC)nc2c1 ZINC000057811498 472477863 /nfs/dbraw/zinc/47/78/63/472477863.db2.gz HUKWIGPYICQGLU-AWEZNQCLSA-N 2 2 329.444 2.636 40 0 EFABLP C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000060368134 472647833 /nfs/dbraw/zinc/64/78/33/472647833.db2.gz GDYFPOYNPWIMSN-CQSZACIVSA-N 2 2 331.366 2.807 40 0 EFABLP C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000060368134 472647838 /nfs/dbraw/zinc/64/78/38/472647838.db2.gz GDYFPOYNPWIMSN-CQSZACIVSA-N 2 2 331.366 2.807 40 0 EFABLP C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000060368133 472648709 /nfs/dbraw/zinc/64/87/09/472648709.db2.gz GDYFPOYNPWIMSN-AWEZNQCLSA-N 2 2 331.366 2.807 40 0 EFABLP C[N@H+](Cc1ccccc1)C[C@H](O)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000060368133 472648714 /nfs/dbraw/zinc/64/87/14/472648714.db2.gz GDYFPOYNPWIMSN-AWEZNQCLSA-N 2 2 331.366 2.807 40 0 EFABLP C[NH+]1CCC([N@@H+]2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)CC1 ZINC000049169845 472934448 /nfs/dbraw/zinc/93/44/48/472934448.db2.gz ILXHSKMPTRPIEZ-INIZCTEOSA-N 2 2 326.444 2.544 40 0 biogenic,in-vitro EFABLP C[NH+]1CCC([N@H+]2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)CC1 ZINC000049169845 472934454 /nfs/dbraw/zinc/93/44/54/472934454.db2.gz ILXHSKMPTRPIEZ-INIZCTEOSA-N 2 2 326.444 2.544 40 0 biogenic,in-vitro EFABLP Cc1ccc(C[N@@H+]2CCOC[C@]3(C[C@@H](Cn4cc[nH+]c4)CO3)C2)s1 ZINC000107738961 472979498 /nfs/dbraw/zinc/97/94/98/472979498.db2.gz CWWDOTJNCULINI-WMZOPIPTSA-N 2 2 347.484 2.561 40 0 EFABLP Cc1ccc(C[N@H+]2CCOC[C@]3(C[C@@H](Cn4cc[nH+]c4)CO3)C2)s1 ZINC000107738961 472979504 /nfs/dbraw/zinc/97/95/04/472979504.db2.gz CWWDOTJNCULINI-WMZOPIPTSA-N 2 2 347.484 2.561 40 0 EFABLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(Cl)c3F)C2)CC1 ZINC000093133314 473049589 /nfs/dbraw/zinc/04/95/89/473049589.db2.gz ZMDRICKJSUALLN-OAHLLOKOSA-N 2 2 325.859 2.691 40 0 EFABLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3F)C2)CC1 ZINC000093133314 473049597 /nfs/dbraw/zinc/04/95/97/473049597.db2.gz ZMDRICKJSUALLN-OAHLLOKOSA-N 2 2 325.859 2.691 40 0 EFABLP COc1c(C)c[nH+]c(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1C ZINC000096424280 473402882 /nfs/dbraw/zinc/40/28/82/473402882.db2.gz HBFQNUUYYOYAPI-KRWDZBQOSA-N 2 2 340.471 2.981 40 0 EFABLP CN(Cc1[nH+]ccn1C)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000096491904 473447309 /nfs/dbraw/zinc/44/73/09/473447309.db2.gz IKHPLEYFMPXTSH-OAHLLOKOSA-N 2 2 349.866 2.518 40 0 EFABLP CCOc1ncccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246847665 473982940 /nfs/dbraw/zinc/98/29/40/473982940.db2.gz CLFIDMRHBRIWGB-APWZRJJASA-N 2 2 340.471 2.876 40 0 EFABLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C)C2 ZINC000195554489 474093789 /nfs/dbraw/zinc/09/37/89/474093789.db2.gz QCRFSTKKDNANQQ-PMPSAXMXSA-N 2 2 348.491 2.884 40 0 EFABLP c1snnc1C[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000195560532 474096012 /nfs/dbraw/zinc/09/60/12/474096012.db2.gz MOODXJKMMJJRAQ-SZMVWBNQSA-N 2 2 328.485 2.928 40 0 EFABLP c1snnc1C[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000195560532 474096015 /nfs/dbraw/zinc/09/60/15/474096015.db2.gz MOODXJKMMJJRAQ-SZMVWBNQSA-N 2 2 328.485 2.928 40 0 EFABLP C[N@H+]1CCC[C@H]2C[NH+](CC3(C[NH+]4CCOCC4)CCCCC3)CC[C@H]21 ZINC000230182181 474260191 /nfs/dbraw/zinc/26/01/91/474260191.db2.gz AZXCNRWFSJJBRE-VQTJNVASSA-N 3 2 349.563 2.685 40 0 EFABLP C[NH+]1CCC[C@H]2C[N@H+](CC3(C[NH+]4CCOCC4)CCCCC3)CC[C@H]21 ZINC000230182181 474260196 /nfs/dbraw/zinc/26/01/96/474260196.db2.gz AZXCNRWFSJJBRE-VQTJNVASSA-N 3 2 349.563 2.685 40 0 EFABLP C[NH+]1CCC[C@H]2C[N@@H+](CC3(C[NH+]4CCOCC4)CCCCC3)CC[C@H]21 ZINC000230182181 474260203 /nfs/dbraw/zinc/26/02/03/474260203.db2.gz AZXCNRWFSJJBRE-VQTJNVASSA-N 3 2 349.563 2.685 40 0 EFABLP C[NH+](C)C[C@H]1CN(C(=O)c2cc3ccccc3s2)Cc2c[nH+]cn21 ZINC000248138271 474266592 /nfs/dbraw/zinc/26/65/92/474266592.db2.gz SIUKPUFXHINZGM-HNNXBMFYSA-N 2 2 340.452 2.857 40 0 EFABLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](C[C@H]1CCOC1)C2 ZINC000248149992 474269920 /nfs/dbraw/zinc/26/99/20/474269920.db2.gz XDDLQKUWWCZACQ-MRXNPFEDSA-N 2 2 341.455 2.701 40 0 EFABLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](C[C@H]1CCOC1)C2 ZINC000248149992 474269929 /nfs/dbraw/zinc/26/99/29/474269929.db2.gz XDDLQKUWWCZACQ-MRXNPFEDSA-N 2 2 341.455 2.701 40 0 EFABLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](C[C@H]1CCOC1)C2 ZINC000248149992 474269933 /nfs/dbraw/zinc/26/99/33/474269933.db2.gz XDDLQKUWWCZACQ-MRXNPFEDSA-N 2 2 341.455 2.701 40 0 EFABLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](C[C@H]1CCOC1)C2 ZINC000248149992 474269941 /nfs/dbraw/zinc/26/99/41/474269941.db2.gz XDDLQKUWWCZACQ-MRXNPFEDSA-N 2 2 341.455 2.701 40 0 EFABLP Cn1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000240894828 474552171 /nfs/dbraw/zinc/55/21/71/474552171.db2.gz IQFDQTQVCUKZAR-SUMWQHHRSA-N 2 2 336.842 2.995 40 0 EFABLP Cn1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000240894828 474552176 /nfs/dbraw/zinc/55/21/76/474552176.db2.gz IQFDQTQVCUKZAR-SUMWQHHRSA-N 2 2 336.842 2.995 40 0 EFABLP c1ccc(N2CC[NH+](C3CC[NH+](CC4CCOCC4)CC3)CC2)cc1 ZINC000244914743 474569462 /nfs/dbraw/zinc/56/94/62/474569462.db2.gz BBJCPBRCEJJABO-UHFFFAOYSA-N 2 2 343.515 2.700 40 0 EFABLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000252487181 474672596 /nfs/dbraw/zinc/67/25/96/474672596.db2.gz UEZXKOOTGCJAOX-WMLDXEAASA-N 2 2 348.454 2.930 40 0 EFABLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000252487181 474672601 /nfs/dbraw/zinc/67/26/01/474672601.db2.gz UEZXKOOTGCJAOX-WMLDXEAASA-N 2 2 348.454 2.930 40 0 EFABLP CCc1[nH+]ccn1CCC(=O)N1CCC[C@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257344758 474965109 /nfs/dbraw/zinc/96/51/09/474965109.db2.gz ZYOZVMBAESOUFC-INIZCTEOSA-N 2 2 341.459 2.660 40 0 EFABLP C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000585141157 479298739 /nfs/dbraw/zinc/29/87/39/479298739.db2.gz QKYRMNRCSUVWMN-NWDGAFQWSA-N 2 2 341.440 2.836 40 0 EFABLP C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000585141157 479298743 /nfs/dbraw/zinc/29/87/43/479298743.db2.gz QKYRMNRCSUVWMN-NWDGAFQWSA-N 2 2 341.440 2.836 40 0 EFABLP Cn1cncc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1F ZINC000019291815 202002293 /nfs/dbraw/zinc/00/22/93/202002293.db2.gz BFBVXBDLINZGDD-UHFFFAOYSA-N 2 2 327.407 2.848 40 0 EFABLP Cn1cncc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1F ZINC000019291815 202002297 /nfs/dbraw/zinc/00/22/97/202002297.db2.gz BFBVXBDLINZGDD-UHFFFAOYSA-N 2 2 327.407 2.848 40 0 EFABLP CNc1cc([C@@H]2CCC[NH2+]C2)nc(C[N@H+](C)Cc2ccccc2C)n1 ZINC000019709963 202016443 /nfs/dbraw/zinc/01/64/43/202016443.db2.gz KLZKDBLKGISNAN-MRXNPFEDSA-N 2 2 339.487 2.926 40 0 EFABLP CNc1cc([C@@H]2CCC[NH2+]C2)nc(C[N@@H+](C)Cc2ccccc2C)n1 ZINC000019709963 202016445 /nfs/dbraw/zinc/01/64/45/202016445.db2.gz KLZKDBLKGISNAN-MRXNPFEDSA-N 2 2 339.487 2.926 40 0 EFABLP C[NH+](C)CCN(Cc1c[nH+]cn1Cc1ccccc1)Cc1ccccn1 ZINC000022913579 202095846 /nfs/dbraw/zinc/09/58/46/202095846.db2.gz VHRKVLCLVBVJNV-UHFFFAOYSA-N 2 2 349.482 2.890 40 0 EFABLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000191471521 239130652 /nfs/dbraw/zinc/13/06/52/239130652.db2.gz KEYVXTWKKPCEKA-LLVKDONJSA-N 2 2 341.702 2.566 40 0 EFABLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000191471534 239131070 /nfs/dbraw/zinc/13/10/70/239131070.db2.gz KEYVXTWKKPCEKA-NSHDSACASA-N 2 2 341.702 2.566 40 0 EFABLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000022912375 212333044 /nfs/dbraw/zinc/33/30/44/212333044.db2.gz FZYGLXLTKSKKPV-QWFCFKBJSA-N 2 2 332.488 2.515 40 0 EFABLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000022912375 212333046 /nfs/dbraw/zinc/33/30/46/212333046.db2.gz FZYGLXLTKSKKPV-QWFCFKBJSA-N 2 2 332.488 2.515 40 0 EFABLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000022912378 212332751 /nfs/dbraw/zinc/33/27/51/212332751.db2.gz FZYGLXLTKSKKPV-NLWGTHIKSA-N 2 2 332.488 2.515 40 0 EFABLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000022912378 212332754 /nfs/dbraw/zinc/33/27/54/212332754.db2.gz FZYGLXLTKSKKPV-NLWGTHIKSA-N 2 2 332.488 2.515 40 0 EFABLP CCOc1ccc(Nc2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)cc1 ZINC000228977056 240234303 /nfs/dbraw/zinc/23/43/03/240234303.db2.gz LCCHICPNYIPZJQ-UHFFFAOYSA-N 2 2 338.415 2.893 40 0 EFABLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2Cc3ccccc3O2)CC1 ZINC000195556402 241005398 /nfs/dbraw/zinc/00/53/98/241005398.db2.gz FDRHCFDJQUCGBG-HNNXBMFYSA-N 2 2 328.378 2.997 40 0 EFABLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2cnccn2)C1 ZINC000225718864 242002752 /nfs/dbraw/zinc/00/27/52/242002752.db2.gz WBYZORUJUFCYPI-CABCVRRESA-N 2 2 331.489 2.756 40 0 EFABLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2cnccn2)C1 ZINC000225718864 242002766 /nfs/dbraw/zinc/00/27/66/242002766.db2.gz WBYZORUJUFCYPI-CABCVRRESA-N 2 2 331.489 2.756 40 0 EFABLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cnccn2)C1 ZINC000225718864 242002772 /nfs/dbraw/zinc/00/27/72/242002772.db2.gz WBYZORUJUFCYPI-CABCVRRESA-N 2 2 331.489 2.756 40 0 EFABLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cnccn2)C1 ZINC000225718864 242002777 /nfs/dbraw/zinc/00/27/77/242002777.db2.gz WBYZORUJUFCYPI-CABCVRRESA-N 2 2 331.489 2.756 40 0 EFABLP CCn1cc(C[N@@H+]2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)c(C)n1 ZINC000257217943 244174571 /nfs/dbraw/zinc/17/45/71/244174571.db2.gz DBFNQPMEDVOOIN-GOSISDBHSA-N 2 2 342.491 2.709 40 0 EFABLP CCn1cc(C[N@H+]2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)c(C)n1 ZINC000257217943 244174574 /nfs/dbraw/zinc/17/45/74/244174574.db2.gz DBFNQPMEDVOOIN-GOSISDBHSA-N 2 2 342.491 2.709 40 0 EFABLP Cn1c[nH+]cc1CN1CC[N@H+](C)C[C@H](Cc2cccc3ncccc23)C1 ZINC000257222647 244187310 /nfs/dbraw/zinc/18/73/10/244187310.db2.gz DUEHPGXCKLVJED-KRWDZBQOSA-N 2 2 349.482 2.575 40 0 EFABLP Cn1c[nH+]cc1CN1CC[N@@H+](C)C[C@H](Cc2cccc3ncccc23)C1 ZINC000257222647 244187316 /nfs/dbraw/zinc/18/73/16/244187316.db2.gz DUEHPGXCKLVJED-KRWDZBQOSA-N 2 2 349.482 2.575 40 0 EFABLP C[N@H+](Cc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000257231863 244217198 /nfs/dbraw/zinc/21/71/98/244217198.db2.gz GILRJZOHVIPPQQ-YRXWBPOGSA-N 2 2 346.858 2.680 40 0 EFABLP C[N@@H+](Cc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000257231863 244217203 /nfs/dbraw/zinc/21/72/03/244217203.db2.gz GILRJZOHVIPPQQ-YRXWBPOGSA-N 2 2 346.858 2.680 40 0 EFABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@@H+]2Cc2ncccc2F)n1 ZINC000257230166 244210796 /nfs/dbraw/zinc/21/07/96/244210796.db2.gz GBCYIFFGHGCTGO-KRWDZBQOSA-N 2 2 329.423 2.718 40 0 EFABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@H+]2Cc2ncccc2F)n1 ZINC000257230166 244210799 /nfs/dbraw/zinc/21/07/99/244210799.db2.gz GBCYIFFGHGCTGO-KRWDZBQOSA-N 2 2 329.423 2.718 40 0 EFABLP CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000072350567 203204242 /nfs/dbraw/zinc/20/42/42/203204242.db2.gz VUAQAYPUXALVGN-MRXNPFEDSA-N 2 2 348.454 2.999 40 0 EFABLP CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000072350567 203204244 /nfs/dbraw/zinc/20/42/44/203204244.db2.gz VUAQAYPUXALVGN-MRXNPFEDSA-N 2 2 348.454 2.999 40 0 EFABLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)cn1 ZINC000257272298 244381948 /nfs/dbraw/zinc/38/19/48/244381948.db2.gz NBWHRNNFKKMVCB-QGZVFWFLSA-N 2 2 334.427 2.745 40 0 EFABLP Cc1ccc(C[N@H+]2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)cn1 ZINC000257272298 244381958 /nfs/dbraw/zinc/38/19/58/244381958.db2.gz NBWHRNNFKKMVCB-QGZVFWFLSA-N 2 2 334.427 2.745 40 0 EFABLP Cc1c[nH]c([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)[nH+]1 ZINC000257278223 244399164 /nfs/dbraw/zinc/39/91/64/244399164.db2.gz OBITZBOBDOSXTH-OAHLLOKOSA-N 2 2 329.448 2.834 40 0 EFABLP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000155498900 206012354 /nfs/dbraw/zinc/01/23/54/206012354.db2.gz YXHFAUNOLWEAIU-GOSISDBHSA-N 2 2 338.455 2.542 40 0 EFABLP Cc1c[nH]c(-c2cc(C)nc([C@@H]3CCC[N@H+]3C3CC[NH+](C)CC3)n2)n1 ZINC000257282644 280278749 /nfs/dbraw/zinc/27/87/49/280278749.db2.gz OUPZMXZHERBBSX-KRWDZBQOSA-N 2 2 340.475 2.715 40 0 EFABLP Cc1c[nH]c(-c2cc(C)nc([C@@H]3CCC[N@@H+]3C3CC[NH+](C)CC3)n2)n1 ZINC000257282644 280278751 /nfs/dbraw/zinc/27/87/51/280278751.db2.gz OUPZMXZHERBBSX-KRWDZBQOSA-N 2 2 340.475 2.715 40 0 EFABLP C[N@@H+]1CCc2ncnc(N[C@H]3CC[C@H](Nc4cccc[nH+]4)CC3)c2C1 ZINC000329761785 311291845 /nfs/dbraw/zinc/29/18/45/311291845.db2.gz RXAQNJJAFBFQAO-SHTZXODSSA-N 2 2 338.459 2.695 40 0 EFABLP C[N@H+]1CCc2ncnc(N[C@H]3CC[C@H](Nc4cccc[nH+]4)CC3)c2C1 ZINC000329761785 311291846 /nfs/dbraw/zinc/29/18/46/311291846.db2.gz RXAQNJJAFBFQAO-SHTZXODSSA-N 2 2 338.459 2.695 40 0 EFABLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000329876451 311296047 /nfs/dbraw/zinc/29/60/47/311296047.db2.gz IALZZPHNXWBICJ-MRXNPFEDSA-N 2 2 332.492 2.845 40 0 EFABLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000329876451 311296048 /nfs/dbraw/zinc/29/60/48/311296048.db2.gz IALZZPHNXWBICJ-MRXNPFEDSA-N 2 2 332.492 2.845 40 0 EFABLP C[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(=O)N1CCCC[C@H]1C ZINC000097236325 323214427 /nfs/dbraw/zinc/21/44/27/323214427.db2.gz FUAXXSRIZVDXPN-KGLIPLIRSA-N 2 2 349.441 2.782 40 0 EFABLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2COc3ccccc3O2)CC1 ZINC000195556396 323529170 /nfs/dbraw/zinc/52/91/70/323529170.db2.gz YZBZPKAZRCMCBC-CQSZACIVSA-N 2 2 344.377 2.833 40 0 EFABLP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2cnn(C)c2)C3)o1 ZINC000096046983 473269663 /nfs/dbraw/zinc/26/96/63/473269663.db2.gz IOVNZIVELFNJBW-IBGZPJMESA-N 2 2 328.460 2.810 40 0 EFABLP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2cnn(C)c2)C3)o1 ZINC000096046983 473269665 /nfs/dbraw/zinc/26/96/65/473269665.db2.gz IOVNZIVELFNJBW-IBGZPJMESA-N 2 2 328.460 2.810 40 0 EFABLP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cnn(C)c2)C3)o1 ZINC000096046983 473269675 /nfs/dbraw/zinc/26/96/75/473269675.db2.gz IOVNZIVELFNJBW-IBGZPJMESA-N 2 2 328.460 2.810 40 0 EFABLP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cnn(C)c2)C3)o1 ZINC000096046983 473269679 /nfs/dbraw/zinc/26/96/79/473269679.db2.gz IOVNZIVELFNJBW-IBGZPJMESA-N 2 2 328.460 2.810 40 0 EFABLP c1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccnc2)CCO3)co1 ZINC000096048931 473272223 /nfs/dbraw/zinc/27/22/23/473272223.db2.gz AOLPBHSTGXVGNQ-UHFFFAOYSA-N 2 2 327.428 2.542 40 0 EFABLP c1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccnc2)CCO3)co1 ZINC000096048931 473272227 /nfs/dbraw/zinc/27/22/27/473272227.db2.gz AOLPBHSTGXVGNQ-UHFFFAOYSA-N 2 2 327.428 2.542 40 0 EFABLP Cc1noc(C)c1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC000096158816 473318840 /nfs/dbraw/zinc/31/88/40/473318840.db2.gz QHPHSHFOMVELCF-UHFFFAOYSA-N 2 2 345.443 2.751 40 0 EFABLP Cc1noc(C)c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC000096158816 473318848 /nfs/dbraw/zinc/31/88/48/473318848.db2.gz QHPHSHFOMVELCF-UHFFFAOYSA-N 2 2 345.443 2.751 40 0 EFABLP c1ccc(NC[C@H]2CCC[C@]3(CC[N@@H+](C4CCOCC4)C3)O2)[nH+]c1 ZINC000096215631 473347329 /nfs/dbraw/zinc/34/73/29/473347329.db2.gz GYNYOHMKJNBHJD-IEBWSBKVSA-N 2 2 331.460 2.686 40 0 EFABLP c1ccc(NC[C@H]2CCC[C@]3(CC[N@H+](C4CCOCC4)C3)O2)[nH+]c1 ZINC000096215631 473347336 /nfs/dbraw/zinc/34/73/36/473347336.db2.gz GYNYOHMKJNBHJD-IEBWSBKVSA-N 2 2 331.460 2.686 40 0 EFABLP Cc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2cnn(C)c2)C3)n1 ZINC000096217250 473349307 /nfs/dbraw/zinc/34/93/07/473349307.db2.gz VQSPMTKQGOFQNW-FQEVSTJZSA-N 2 2 339.487 2.612 40 0 EFABLP Cc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2cnn(C)c2)C3)n1 ZINC000096217250 473349313 /nfs/dbraw/zinc/34/93/13/473349313.db2.gz VQSPMTKQGOFQNW-FQEVSTJZSA-N 2 2 339.487 2.612 40 0 EFABLP Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cnn(C)c2)C3)n1 ZINC000096217250 473349319 /nfs/dbraw/zinc/34/93/19/473349319.db2.gz VQSPMTKQGOFQNW-FQEVSTJZSA-N 2 2 339.487 2.612 40 0 EFABLP Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cnn(C)c2)C3)n1 ZINC000096217250 473349323 /nfs/dbraw/zinc/34/93/23/473349323.db2.gz VQSPMTKQGOFQNW-FQEVSTJZSA-N 2 2 339.487 2.612 40 0 EFABLP COCCn1c[nH+]cc1-c1cn(CC[NH3+])nc1-c1ccc(Cl)cc1 ZINC000019696572 471983269 /nfs/dbraw/zinc/98/32/69/471983269.db2.gz JNJWMHJEJOTYEZ-UHFFFAOYSA-N 2 2 345.834 2.672 40 0 EFABLP C1CC2CCC1C[NH+]([C@H]1CO[C@@H]([NH+]3CC4CCC(CC4)C3)CO1)C2 ZINC000031688081 472388630 /nfs/dbraw/zinc/38/86/30/472388630.db2.gz KMYPMHHZMQKXPU-MHUBRMLGSA-N 2 2 334.504 2.929 40 0 EFABLP CCOc1ncccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000097228282 472483322 /nfs/dbraw/zinc/48/33/22/472483322.db2.gz CLFIDMRHBRIWGB-LPHOPBHVSA-N 2 2 340.471 2.876 40 0 EFABLP CCOc1ncccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000097228282 472483326 /nfs/dbraw/zinc/48/33/26/472483326.db2.gz CLFIDMRHBRIWGB-LPHOPBHVSA-N 2 2 340.471 2.876 40 0 EFABLP c1ccc(-c2cccc(C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)c2)nc1 ZINC000093664895 473133515 /nfs/dbraw/zinc/13/35/15/473133515.db2.gz XJBPCPLBULENAR-IBGZPJMESA-N 2 2 337.467 2.903 40 0 EFABLP c1ccc(-c2cccc(C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)c2)nc1 ZINC000093664895 473133519 /nfs/dbraw/zinc/13/35/19/473133519.db2.gz XJBPCPLBULENAR-IBGZPJMESA-N 2 2 337.467 2.903 40 0 EFABLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000096427107 473406075 /nfs/dbraw/zinc/40/60/75/473406075.db2.gz FZYXNNOJWUNXBG-UHFFFAOYSA-N 2 2 347.422 2.538 40 0 EFABLP c1c[nH+]c([C@@H](N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c2cccnc2)[nH]1 ZINC000195048961 473998190 /nfs/dbraw/zinc/99/81/90/473998190.db2.gz WTTFEDYHWBMBPK-MSOLQXFVSA-N 2 2 325.460 2.748 40 0 EFABLP c1c[nH+]c([C@@H](N[C@@H]2CC[N@H+](CC3CCCC3)C2)c2cccnc2)[nH]1 ZINC000195048961 473998197 /nfs/dbraw/zinc/99/81/97/473998197.db2.gz WTTFEDYHWBMBPK-MSOLQXFVSA-N 2 2 325.460 2.748 40 0 EFABLP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC000195298466 474053745 /nfs/dbraw/zinc/05/37/45/474053745.db2.gz NLNMBJCSRMRDGL-FQEVSTJZSA-N 2 2 325.456 2.528 40 0 EFABLP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC000195298466 474053753 /nfs/dbraw/zinc/05/37/53/474053753.db2.gz NLNMBJCSRMRDGL-FQEVSTJZSA-N 2 2 325.456 2.528 40 0 EFABLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000195298466 474053762 /nfs/dbraw/zinc/05/37/62/474053762.db2.gz NLNMBJCSRMRDGL-FQEVSTJZSA-N 2 2 325.456 2.528 40 0 EFABLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000195298466 474053771 /nfs/dbraw/zinc/05/37/71/474053771.db2.gz NLNMBJCSRMRDGL-FQEVSTJZSA-N 2 2 325.456 2.528 40 0 EFABLP Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2nc3c(cnn3C)c(N)[nH+]2)cc1 ZINC000225513018 474219167 /nfs/dbraw/zinc/21/91/67/474219167.db2.gz BCVBUXVVASCCBW-LLVKDONJSA-N 2 2 348.414 2.613 40 0 EFABLP C[N@H+]1CCC[C@@H]2C[NH+](CC3(C[NH+]4CCOCC4)CCCCC3)CC[C@H]21 ZINC000230182174 474259536 /nfs/dbraw/zinc/25/95/36/474259536.db2.gz AZXCNRWFSJJBRE-WOJBJXKFSA-N 3 2 349.563 2.685 40 0 EFABLP C[NH+]1CCC[C@@H]2C[N@H+](CC3(C[NH+]4CCOCC4)CCCCC3)CC[C@H]21 ZINC000230182174 474259542 /nfs/dbraw/zinc/25/95/42/474259542.db2.gz AZXCNRWFSJJBRE-WOJBJXKFSA-N 3 2 349.563 2.685 40 0 EFABLP C[NH+]1CCC[C@@H]2C[N@@H+](CC3(C[NH+]4CCOCC4)CCCCC3)CC[C@H]21 ZINC000230182174 474259547 /nfs/dbraw/zinc/25/95/47/474259547.db2.gz AZXCNRWFSJJBRE-WOJBJXKFSA-N 3 2 349.563 2.685 40 0 EFABLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCN(Cc4ccccc4)C3=O)n2c1 ZINC000241470681 474555538 /nfs/dbraw/zinc/55/55/38/474555538.db2.gz NWZQNPJQFYPGCY-SFHVURJKSA-N 2 2 334.423 2.533 40 0 EFABLP CC[S@](=O)[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000245344036 474574783 /nfs/dbraw/zinc/57/47/83/474574783.db2.gz WZDWGULRTBJRKJ-QZMQVMSPSA-N 2 2 335.517 2.720 40 0 EFABLP c1ccc(C[NH+]2CCC([NH+]3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000252488906 474675865 /nfs/dbraw/zinc/67/58/65/474675865.db2.gz JBKLVKMRSJDFEB-UHFFFAOYSA-N 2 2 336.483 2.868 40 0 EFABLP Cn1cc(-c2c[nH+]c3n2C[C@H]2C[N@@H+](Cc4ccsc4)C[C@@H]2C3)cn1 ZINC000306141489 474811487 /nfs/dbraw/zinc/81/14/87/474811487.db2.gz VXUVCJLCDWCHPP-GOEBONIOSA-N 2 2 339.468 2.649 40 0 EFABLP Cn1cc(-c2c[nH+]c3n2C[C@H]2C[N@H+](Cc4ccsc4)C[C@@H]2C3)cn1 ZINC000306141489 474811495 /nfs/dbraw/zinc/81/14/95/474811495.db2.gz VXUVCJLCDWCHPP-GOEBONIOSA-N 2 2 339.468 2.649 40 0 EFABLP Cn1cc(-c2c[nH+]c3n2C[C@@H]2C[N@@H+](Cc4ccsc4)C[C@H]2C3)cn1 ZINC000306141491 474811729 /nfs/dbraw/zinc/81/17/29/474811729.db2.gz VXUVCJLCDWCHPP-ZBFHGGJFSA-N 2 2 339.468 2.649 40 0 EFABLP Cn1cc(-c2c[nH+]c3n2C[C@@H]2C[N@H+](Cc4ccsc4)C[C@H]2C3)cn1 ZINC000306141491 474811735 /nfs/dbraw/zinc/81/17/35/474811735.db2.gz VXUVCJLCDWCHPP-ZBFHGGJFSA-N 2 2 339.468 2.649 40 0 EFABLP C[N@@H+]1CCN(Cc2[nH]cc[nH+]2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257311735 474948139 /nfs/dbraw/zinc/94/81/39/474948139.db2.gz UKUBNRZSTKLCQQ-MRXNPFEDSA-N 2 2 335.455 2.564 40 0 EFABLP C[N@H+]1CCN(Cc2[nH]cc[nH+]2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257311735 474948144 /nfs/dbraw/zinc/94/81/44/474948144.db2.gz UKUBNRZSTKLCQQ-MRXNPFEDSA-N 2 2 335.455 2.564 40 0 EFABLP C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CC[C@H](c2[nH]cc[nH+]2)C1 ZINC000585141160 479298683 /nfs/dbraw/zinc/29/86/83/479298683.db2.gz QKYRMNRCSUVWMN-RYUDHWBXSA-N 2 2 341.440 2.836 40 0 EFABLP C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CC[C@H](c2[nH]cc[nH+]2)C1 ZINC000585141160 479298689 /nfs/dbraw/zinc/29/86/89/479298689.db2.gz QKYRMNRCSUVWMN-RYUDHWBXSA-N 2 2 341.440 2.836 40 0 EFABLP C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000585141161 479298937 /nfs/dbraw/zinc/29/89/37/479298937.db2.gz QKYRMNRCSUVWMN-VXGBXAGGSA-N 2 2 341.440 2.836 40 0 EFABLP C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000585141161 479298939 /nfs/dbraw/zinc/29/89/39/479298939.db2.gz QKYRMNRCSUVWMN-VXGBXAGGSA-N 2 2 341.440 2.836 40 0 EFABLP O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000585289417 479309302 /nfs/dbraw/zinc/30/93/02/479309302.db2.gz QTGPGFIWWQQSDP-IPMKNSEASA-N 2 2 347.434 2.753 40 0 EFABLP C[C@H](C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1)N1CC[NH+](C)CC1 ZINC000183558262 235138947 /nfs/dbraw/zinc/13/89/47/235138947.db2.gz LTUVGCQXJXZCKZ-OXQOHEQNSA-N 2 2 342.462 2.536 40 0 EFABLP Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072355422 216164968 /nfs/dbraw/zinc/16/49/68/216164968.db2.gz DPSMOCSTKPTINE-MRXNPFEDSA-N 2 2 334.427 2.745 40 0 EFABLP Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072355422 216164974 /nfs/dbraw/zinc/16/49/74/216164974.db2.gz DPSMOCSTKPTINE-MRXNPFEDSA-N 2 2 334.427 2.745 40 0 EFABLP Cc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000072350564 216161661 /nfs/dbraw/zinc/16/16/61/216161661.db2.gz LSIKAEWBUTWBDU-MRXNPFEDSA-N 2 2 334.427 2.745 40 0 EFABLP Cc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000072350564 216161665 /nfs/dbraw/zinc/16/16/65/216161665.db2.gz LSIKAEWBUTWBDU-MRXNPFEDSA-N 2 2 334.427 2.745 40 0 EFABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072355435 216163847 /nfs/dbraw/zinc/16/38/47/216163847.db2.gz ODWUFHNZWHXGQD-QGZVFWFLSA-N 2 2 348.454 2.999 40 0 EFABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072355435 216163850 /nfs/dbraw/zinc/16/38/50/216163850.db2.gz ODWUFHNZWHXGQD-QGZVFWFLSA-N 2 2 348.454 2.999 40 0 EFABLP Cc1[nH+]cc(C[N@@H+]2Cc3ccccc3OC3(CC[NH+](C)CC3)C2)n1C ZINC000072394181 216192112 /nfs/dbraw/zinc/19/21/12/216192112.db2.gz JFGRJNGVMQOZAP-UHFFFAOYSA-N 3 2 340.471 2.588 40 0 EFABLP Cc1[nH+]cc(C[N@H+]2Cc3ccccc3OC3(CC[NH+](C)CC3)C2)n1C ZINC000072394181 216192115 /nfs/dbraw/zinc/19/21/15/216192115.db2.gz JFGRJNGVMQOZAP-UHFFFAOYSA-N 3 2 340.471 2.588 40 0 EFABLP COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000195549402 241000311 /nfs/dbraw/zinc/00/03/11/241000311.db2.gz GXESMGQYKJWSJG-DZGCQCFKSA-N 2 2 330.384 2.984 40 0 EFABLP COC(=O)c1oc([C@H](C)[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000195549402 241000316 /nfs/dbraw/zinc/00/03/16/241000316.db2.gz GXESMGQYKJWSJG-DZGCQCFKSA-N 2 2 330.384 2.984 40 0 EFABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@@H+]2Cc2ccc(F)cn2)n1 ZINC000257215759 244166476 /nfs/dbraw/zinc/16/64/76/244166476.db2.gz CRMYALACBSSWNP-QGZVFWFLSA-N 2 2 329.423 2.718 40 0 EFABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@H+]2Cc2ccc(F)cn2)n1 ZINC000257215759 244166482 /nfs/dbraw/zinc/16/64/82/244166482.db2.gz CRMYALACBSSWNP-QGZVFWFLSA-N 2 2 329.423 2.718 40 0 EFABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@@H+]2Cc2ncccc2F)n1 ZINC000257230167 244210440 /nfs/dbraw/zinc/21/04/40/244210440.db2.gz GBCYIFFGHGCTGO-QGZVFWFLSA-N 2 2 329.423 2.718 40 0 EFABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@H+]2Cc2ncccc2F)n1 ZINC000257230167 244210445 /nfs/dbraw/zinc/21/04/45/244210445.db2.gz GBCYIFFGHGCTGO-QGZVFWFLSA-N 2 2 329.423 2.718 40 0 EFABLP CCCn1cc(C[N@@H+]2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)cn1 ZINC000257276818 284131183 /nfs/dbraw/zinc/13/11/83/284131183.db2.gz NVGHUUKVBNANBD-GOSISDBHSA-N 2 2 342.491 2.790 40 0 EFABLP CCCn1cc(C[N@H+]2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)cn1 ZINC000257276818 284131186 /nfs/dbraw/zinc/13/11/86/284131186.db2.gz NVGHUUKVBNANBD-GOSISDBHSA-N 2 2 342.491 2.790 40 0 EFABLP Cc1cccnc1C[N@@H+]1CCO[C@@H](CCc2cc[nH+]c(N(C)C)c2)C1 ZINC000257235236 244226140 /nfs/dbraw/zinc/22/61/40/244226140.db2.gz GWZWCDSIAMLVKH-SFHVURJKSA-N 2 2 340.471 2.685 40 0 EFABLP Cc1cccnc1C[N@H+]1CCO[C@@H](CCc2cc[nH+]c(N(C)C)c2)C1 ZINC000257235236 244226146 /nfs/dbraw/zinc/22/61/46/244226146.db2.gz GWZWCDSIAMLVKH-SFHVURJKSA-N 2 2 340.471 2.685 40 0 EFABLP Cc1ncsc1C[N@@H+]1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257249262 244265728 /nfs/dbraw/zinc/26/57/28/244265728.db2.gz JHMYVFMYCBMQQB-CQSZACIVSA-N 2 2 340.456 2.807 40 0 EFABLP Cc1ncsc1C[N@H+]1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257249262 244265736 /nfs/dbraw/zinc/26/57/36/244265736.db2.gz JHMYVFMYCBMQQB-CQSZACIVSA-N 2 2 340.456 2.807 40 0 EFABLP COc1ccc(C[N@@H+]2CCC[C@H]2c2nccc(C[NH+](C)C)n2)cc1 ZINC000257266636 244364810 /nfs/dbraw/zinc/36/48/10/244364810.db2.gz MDVGUHPHVBBMSN-SFHVURJKSA-N 2 2 326.444 2.884 40 0 EFABLP COc1ccc(C[N@H+]2CCC[C@H]2c2nccc(C[NH+](C)C)n2)cc1 ZINC000257266636 244364820 /nfs/dbraw/zinc/36/48/20/244364820.db2.gz MDVGUHPHVBBMSN-SFHVURJKSA-N 2 2 326.444 2.884 40 0 EFABLP COc1ccc(C[N@@H+]2CCc3nc(C4CC[NH2+]CC4)ncc3C2)cc1 ZINC000019555595 212042563 /nfs/dbraw/zinc/04/25/63/212042563.db2.gz OMHCWBBXZJUFHK-UHFFFAOYSA-N 2 2 338.455 2.511 40 0 EFABLP COc1ccc(C[N@H+]2CCc3nc(C4CC[NH2+]CC4)ncc3C2)cc1 ZINC000019555595 212042565 /nfs/dbraw/zinc/04/25/65/212042565.db2.gz OMHCWBBXZJUFHK-UHFFFAOYSA-N 2 2 338.455 2.511 40 0 EFABLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257243503 278080856 /nfs/dbraw/zinc/08/08/56/278080856.db2.gz IHIAFFKPWXDYJX-QGZVFWFLSA-N 2 2 326.444 2.570 40 0 EFABLP C[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(=O)N1CCCC[C@@H]1C ZINC000097236323 323214219 /nfs/dbraw/zinc/21/42/19/323214219.db2.gz FUAXXSRIZVDXPN-UONOGXRCSA-N 2 2 349.441 2.782 40 0 EFABLP Cc1ccc(C[NH+]2CCc3nnc(C[N@@H+](C)C(C)C)n3CC2)s1 ZINC000096058952 473283274 /nfs/dbraw/zinc/28/32/74/473283274.db2.gz SCOVDAYMOHIVCY-UHFFFAOYSA-N 2 2 333.505 2.547 40 0 EFABLP Cc1ccc(C[NH+]2CCc3nnc(C[N@H+](C)C(C)C)n3CC2)s1 ZINC000096058952 473283287 /nfs/dbraw/zinc/28/32/87/473283287.db2.gz SCOVDAYMOHIVCY-UHFFFAOYSA-N 2 2 333.505 2.547 40 0 EFABLP Cc1ccc(C[N@H+]2CCc3nnc(C[NH+](C)C(C)C)n3CC2)s1 ZINC000096058952 473283293 /nfs/dbraw/zinc/28/32/93/473283293.db2.gz SCOVDAYMOHIVCY-UHFFFAOYSA-N 2 2 333.505 2.547 40 0 EFABLP Cc1ccc(C[N@@H+]2CCc3nnc(C[NH+](C)C(C)C)n3CC2)s1 ZINC000096058952 473283300 /nfs/dbraw/zinc/28/33/00/473283300.db2.gz SCOVDAYMOHIVCY-UHFFFAOYSA-N 2 2 333.505 2.547 40 0 EFABLP Cc1ccc(C[NH+]2CC[C@@H](F)[C@]3(CC[N@@H+](Cc4cnn(C)c4)C3)C2)o1 ZINC000096078741 473291568 /nfs/dbraw/zinc/29/15/68/473291568.db2.gz OQAPZIMNYAKCNM-RTBURBONSA-N 2 2 346.450 2.758 40 0 EFABLP Cc1ccc(C[NH+]2CC[C@@H](F)[C@]3(CC[N@H+](Cc4cnn(C)c4)C3)C2)o1 ZINC000096078741 473291571 /nfs/dbraw/zinc/29/15/71/473291571.db2.gz OQAPZIMNYAKCNM-RTBURBONSA-N 2 2 346.450 2.758 40 0 EFABLP Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@]3(CC[NH+](Cc4cnn(C)c4)C3)C2)o1 ZINC000096078741 473291577 /nfs/dbraw/zinc/29/15/77/473291577.db2.gz OQAPZIMNYAKCNM-RTBURBONSA-N 2 2 346.450 2.758 40 0 EFABLP Cc1ccc(C[N@H+]2CC[C@@H](F)[C@]3(CC[NH+](Cc4cnn(C)c4)C3)C2)o1 ZINC000096078741 473291581 /nfs/dbraw/zinc/29/15/81/473291581.db2.gz OQAPZIMNYAKCNM-RTBURBONSA-N 2 2 346.450 2.758 40 0 EFABLP CC(C)n1nc(C[N@H+](C)C(C)C)c2c1C[NH+](Cc1cnn(C)c1)CC2 ZINC000096084218 473293914 /nfs/dbraw/zinc/29/39/14/473293914.db2.gz JJBWMFSDXFBECN-UHFFFAOYSA-N 2 2 344.507 2.596 40 0 EFABLP CC(C)n1nc(C[N@@H+](C)C(C)C)c2c1C[NH+](Cc1cnn(C)c1)CC2 ZINC000096084218 473293919 /nfs/dbraw/zinc/29/39/19/473293919.db2.gz JJBWMFSDXFBECN-UHFFFAOYSA-N 2 2 344.507 2.596 40 0 EFABLP CC(C)n1nc(C[NH+](C)C(C)C)c2c1C[N@H+](Cc1cnn(C)c1)CC2 ZINC000096084218 473293926 /nfs/dbraw/zinc/29/39/26/473293926.db2.gz JJBWMFSDXFBECN-UHFFFAOYSA-N 2 2 344.507 2.596 40 0 EFABLP CC(C)n1nc(C[NH+](C)C(C)C)c2c1C[N@@H+](Cc1cnn(C)c1)CC2 ZINC000096084218 473293930 /nfs/dbraw/zinc/29/39/30/473293930.db2.gz JJBWMFSDXFBECN-UHFFFAOYSA-N 2 2 344.507 2.596 40 0 EFABLP CC(C)[N@H+](C)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2cccs2)C1 ZINC000096188326 473331564 /nfs/dbraw/zinc/33/15/64/473331564.db2.gz QZGNJXGORDDHLG-CQSZACIVSA-N 2 2 332.473 2.557 40 0 EFABLP CC(C)[N@@H+](C)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2cccs2)C1 ZINC000096188326 473331569 /nfs/dbraw/zinc/33/15/69/473331569.db2.gz QZGNJXGORDDHLG-CQSZACIVSA-N 2 2 332.473 2.557 40 0 EFABLP CCOC[C@H]1CCC2(CC[NH+](Cc3cnn(C)c3)CC2)[N@@H+]1CC1CC1 ZINC000096206430 473340684 /nfs/dbraw/zinc/34/06/84/473340684.db2.gz OANOYBGFFNACSH-LJQANCHMSA-N 2 2 346.519 2.666 40 0 EFABLP CCOC[C@H]1CCC2(CC[NH+](Cc3cnn(C)c3)CC2)[N@H+]1CC1CC1 ZINC000096206430 473340692 /nfs/dbraw/zinc/34/06/92/473340692.db2.gz OANOYBGFFNACSH-LJQANCHMSA-N 2 2 346.519 2.666 40 0 EFABLP C[N@@H+]1C[C@@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3ccoc3)C2)C1 ZINC000096216914 473348710 /nfs/dbraw/zinc/34/87/10/473348710.db2.gz QGEWELSZQYSZKH-AZUAARDMSA-N 2 2 341.455 2.645 40 0 EFABLP C[N@H+]1C[C@@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3ccoc3)C2)C1 ZINC000096216914 473348717 /nfs/dbraw/zinc/34/87/17/473348717.db2.gz QGEWELSZQYSZKH-AZUAARDMSA-N 2 2 341.455 2.645 40 0 EFABLP C[NH+]1C[C@@H](COCc2ccccn2)[C@]2(CC[N@H+](Cc3ccoc3)C2)C1 ZINC000096216914 473348723 /nfs/dbraw/zinc/34/87/23/473348723.db2.gz QGEWELSZQYSZKH-AZUAARDMSA-N 2 2 341.455 2.645 40 0 EFABLP C[NH+]1C[C@@H](COCc2ccccn2)[C@]2(CC[N@@H+](Cc3ccoc3)C2)C1 ZINC000096216914 473348730 /nfs/dbraw/zinc/34/87/30/473348730.db2.gz QGEWELSZQYSZKH-AZUAARDMSA-N 2 2 341.455 2.645 40 0 EFABLP Cc1ccc(C[N@@H+]2C[C@H]3OC[C@@H](COc4cc[nH+]cc4)[C@H]3C2)s1 ZINC000096220246 473353647 /nfs/dbraw/zinc/35/36/47/473353647.db2.gz CLIUNKFIPAYNDZ-ZTFGCOKTSA-N 2 2 330.453 2.977 40 0 EFABLP Cc1ccc(C[N@H+]2C[C@H]3OC[C@@H](COc4cc[nH+]cc4)[C@H]3C2)s1 ZINC000096220246 473353654 /nfs/dbraw/zinc/35/36/54/473353654.db2.gz CLIUNKFIPAYNDZ-ZTFGCOKTSA-N 2 2 330.453 2.977 40 0 EFABLP CC(C)C[N@@H+]1CCN(C)C(=O)C12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096230257 473358964 /nfs/dbraw/zinc/35/89/64/473358964.db2.gz KYCBIOBVZGZTEN-UHFFFAOYSA-N 2 2 347.478 2.590 40 0 EFABLP CC(C)C[N@H+]1CCN(C)C(=O)C12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096230257 473358970 /nfs/dbraw/zinc/35/89/70/473358970.db2.gz KYCBIOBVZGZTEN-UHFFFAOYSA-N 2 2 347.478 2.590 40 0 EFABLP C[NH+]1CCN(C(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000000532340 471369047 /nfs/dbraw/zinc/36/90/47/471369047.db2.gz KYKIBSVDQXLYGU-UHFFFAOYSA-N 2 2 349.478 2.633 40 0 EFABLP C[NH+]1CCN(C(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000000532340 471369052 /nfs/dbraw/zinc/36/90/52/471369052.db2.gz KYKIBSVDQXLYGU-UHFFFAOYSA-N 2 2 349.478 2.633 40 0 EFABLP c1ccc2c(c1)[nH+]ncc2N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000041122899 472045567 /nfs/dbraw/zinc/04/55/67/472045567.db2.gz FCEJDLZKCPBEJW-UHFFFAOYSA-N 2 2 348.406 2.681 40 0 EFABLP COC1(C[NH2+][C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000097095363 472443224 /nfs/dbraw/zinc/44/32/24/472443224.db2.gz OUJPJRPDTADOFI-HKUYNNGSSA-N 2 2 332.488 2.682 40 0 EFABLP COC1(C[NH2+][C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000097095363 472443236 /nfs/dbraw/zinc/44/32/36/472443236.db2.gz OUJPJRPDTADOFI-HKUYNNGSSA-N 2 2 332.488 2.682 40 0 EFABLP COc1ccc2cc(C[N@H+](C)C[C@@H]3CC[NH+](C)C3)c(OC)nc2c1 ZINC000057811503 472478611 /nfs/dbraw/zinc/47/86/11/472478611.db2.gz HUKWIGPYICQGLU-CQSZACIVSA-N 2 2 329.444 2.636 40 0 EFABLP COc1ccc2cc(C[N@@H+](C)C[C@@H]3CC[NH+](C)C3)c(OC)nc2c1 ZINC000057811503 472478616 /nfs/dbraw/zinc/47/86/16/472478616.db2.gz HUKWIGPYICQGLU-CQSZACIVSA-N 2 2 329.444 2.636 40 0 EFABLP COc1ccc2cc(C[NH+](C)C[C@@H]3CC[N@H+](C)C3)c(OC)nc2c1 ZINC000057811503 472478622 /nfs/dbraw/zinc/47/86/22/472478622.db2.gz HUKWIGPYICQGLU-CQSZACIVSA-N 2 2 329.444 2.636 40 0 EFABLP COc1ccc2cc(C[NH+](C)C[C@@H]3CC[N@@H+](C)C3)c(OC)nc2c1 ZINC000057811503 472478629 /nfs/dbraw/zinc/47/86/29/472478629.db2.gz HUKWIGPYICQGLU-CQSZACIVSA-N 2 2 329.444 2.636 40 0 EFABLP Cc1csc(N2CCC[N@@H+](Cc3c[nH+]ccc3N(C)C)CC2)n1 ZINC000097377058 472494545 /nfs/dbraw/zinc/49/45/45/472494545.db2.gz JQYZZVYWVMHYCH-UHFFFAOYSA-N 2 2 331.489 2.625 40 0 EFABLP Cc1csc(N2CCC[N@H+](Cc3c[nH+]ccc3N(C)C)CC2)n1 ZINC000097377058 472494550 /nfs/dbraw/zinc/49/45/50/472494550.db2.gz JQYZZVYWVMHYCH-UHFFFAOYSA-N 2 2 331.489 2.625 40 0 EFABLP C[C@@](O)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000090909260 472664564 /nfs/dbraw/zinc/66/45/64/472664564.db2.gz OQVVAQYLBFITCR-LJQANCHMSA-N 2 2 329.419 2.687 40 0 EFABLP COc1c(C)c[nH+]c(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)c1C ZINC000096424281 473402118 /nfs/dbraw/zinc/40/21/18/473402118.db2.gz HBFQNUUYYOYAPI-QGZVFWFLSA-N 2 2 340.471 2.981 40 0 EFABLP C[C@H](C[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1)CS(C)(=O)=O ZINC000096466200 473434603 /nfs/dbraw/zinc/43/46/03/473434603.db2.gz ZOFNTYGVYUKALI-UPTPFMHGSA-N 2 2 344.565 2.642 40 0 EFABLP C[C@H](C[N@@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1)CS(C)(=O)=O ZINC000096466200 473434608 /nfs/dbraw/zinc/43/46/08/473434608.db2.gz ZOFNTYGVYUKALI-UPTPFMHGSA-N 2 2 344.565 2.642 40 0 EFABLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2nc(C)no2)CC1 ZINC000096491341 473447832 /nfs/dbraw/zinc/44/78/32/473447832.db2.gz KXOQNGWKWWUVEJ-ZDUSSCGKSA-N 2 2 347.438 2.510 40 0 EFABLP Cc1ccc2[nH+]cc(C[NH2+]Cc3ccc(N4CCOC4=O)cc3)n2c1 ZINC000096501568 473454525 /nfs/dbraw/zinc/45/45/25/473454525.db2.gz YPMFBYCWXDEYFZ-UHFFFAOYSA-N 2 2 336.395 2.889 40 0 EFABLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC000195267081 474043799 /nfs/dbraw/zinc/04/37/99/474043799.db2.gz NQVBJXQZCMJSHG-SFHVURJKSA-N 2 2 345.512 2.898 40 0 EFABLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC000195267081 474043808 /nfs/dbraw/zinc/04/38/08/474043808.db2.gz NQVBJXQZCMJSHG-SFHVURJKSA-N 2 2 345.512 2.898 40 0 EFABLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000195267081 474043815 /nfs/dbraw/zinc/04/38/15/474043815.db2.gz NQVBJXQZCMJSHG-SFHVURJKSA-N 2 2 345.512 2.898 40 0 EFABLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000195267081 474043824 /nfs/dbraw/zinc/04/38/24/474043824.db2.gz NQVBJXQZCMJSHG-SFHVURJKSA-N 2 2 345.512 2.898 40 0 EFABLP Cc1noc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000195557233 474094895 /nfs/dbraw/zinc/09/48/95/474094895.db2.gz WYZVLHWUROFKSS-OKZBNKHCSA-N 2 2 326.444 2.768 40 0 EFABLP Cc1noc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000195557233 474094897 /nfs/dbraw/zinc/09/48/97/474094897.db2.gz WYZVLHWUROFKSS-OKZBNKHCSA-N 2 2 326.444 2.768 40 0 EFABLP C[NH+]1CCC(O)(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225473720 474216791 /nfs/dbraw/zinc/21/67/91/474216791.db2.gz IILBNLIXCGJKSS-UHFFFAOYSA-N 2 2 343.496 2.615 40 0 biogenic,in-vitro EFABLP C[NH+]1CCC(O)(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225473720 474216799 /nfs/dbraw/zinc/21/67/99/474216799.db2.gz IILBNLIXCGJKSS-UHFFFAOYSA-N 2 2 343.496 2.615 40 0 biogenic,in-vitro EFABLP C[C@@H](c1nnnn1C)[N@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000225545296 474223639 /nfs/dbraw/zinc/22/36/39/474223639.db2.gz VDPPDYBHXJGMBK-INIZCTEOSA-N 2 2 342.491 2.505 40 0 EFABLP C[C@@H](c1nnnn1C)[N@@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000225545296 474223645 /nfs/dbraw/zinc/22/36/45/474223645.db2.gz VDPPDYBHXJGMBK-INIZCTEOSA-N 2 2 342.491 2.505 40 0 EFABLP Cc1ccc(C[N@H+]2Cc3ccnn3C[C@H](CNc3cccc[nH+]3)C2)o1 ZINC000248105714 474260909 /nfs/dbraw/zinc/26/09/09/474260909.db2.gz PBGAIJSFZGRZBQ-MRXNPFEDSA-N 2 2 337.427 2.924 40 0 EFABLP Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@H](CNc3cccc[nH+]3)C2)o1 ZINC000248105714 474260917 /nfs/dbraw/zinc/26/09/17/474260917.db2.gz PBGAIJSFZGRZBQ-MRXNPFEDSA-N 2 2 337.427 2.924 40 0 EFABLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000283221897 474342572 /nfs/dbraw/zinc/34/25/72/474342572.db2.gz SVGWSHQWTWDSEB-QFBILLFUSA-N 2 2 340.471 2.970 40 0 EFABLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000283221897 474342575 /nfs/dbraw/zinc/34/25/75/474342575.db2.gz SVGWSHQWTWDSEB-QFBILLFUSA-N 2 2 340.471 2.970 40 0 EFABLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000283221897 474342581 /nfs/dbraw/zinc/34/25/81/474342581.db2.gz SVGWSHQWTWDSEB-QFBILLFUSA-N 2 2 340.471 2.970 40 0 EFABLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000283221897 474342586 /nfs/dbraw/zinc/34/25/86/474342586.db2.gz SVGWSHQWTWDSEB-QFBILLFUSA-N 2 2 340.471 2.970 40 0 EFABLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000253369909 474728434 /nfs/dbraw/zinc/72/84/34/474728434.db2.gz JRPUQTPPRBRAKD-NSISKUIASA-N 2 2 337.467 2.885 40 0 EFABLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000253369909 474728445 /nfs/dbraw/zinc/72/84/45/474728445.db2.gz JRPUQTPPRBRAKD-NSISKUIASA-N 2 2 337.467 2.885 40 0 EFABLP Cn1cc(C[N@H+]2C[C@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306132749 474810662 /nfs/dbraw/zinc/81/06/62/474810662.db2.gz LQZGHNKFJDDYIA-MSOLQXFVSA-N 2 2 333.439 2.588 40 0 EFABLP Cn1cc(C[N@@H+]2C[C@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306132749 474810671 /nfs/dbraw/zinc/81/06/71/474810671.db2.gz LQZGHNKFJDDYIA-MSOLQXFVSA-N 2 2 333.439 2.588 40 0 EFABLP Cc1cccc(C[N@@H+]2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)n1 ZINC000257314727 474949140 /nfs/dbraw/zinc/94/91/40/474949140.db2.gz UYFGLSOKEMJFAV-INIZCTEOSA-N 2 2 334.427 2.745 40 0 EFABLP Cc1cccc(C[N@H+]2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)n1 ZINC000257314727 474949146 /nfs/dbraw/zinc/94/91/46/474949146.db2.gz UYFGLSOKEMJFAV-INIZCTEOSA-N 2 2 334.427 2.745 40 0 EFABLP C[N@H+](CC(=O)N1CCC[C@@]2(C)[C@@H]1CCC[NH+]2C)Cc1ccc(F)cc1 ZINC000257318088 474951614 /nfs/dbraw/zinc/95/16/14/474951614.db2.gz VMLQQBPWLNPUGH-ICSRJNTNSA-N 2 2 347.478 2.733 40 0 EFABLP C[N@@H+](CC(=O)N1CCC[C@@]2(C)[C@@H]1CCC[NH+]2C)Cc1ccc(F)cc1 ZINC000257318088 474951625 /nfs/dbraw/zinc/95/16/25/474951625.db2.gz VMLQQBPWLNPUGH-ICSRJNTNSA-N 2 2 347.478 2.733 40 0 EFABLP C[NH+](CC(=O)N1CCC[C@@]2(C)[C@@H]1CCC[N@@H+]2C)Cc1ccc(F)cc1 ZINC000257318088 474951637 /nfs/dbraw/zinc/95/16/37/474951637.db2.gz VMLQQBPWLNPUGH-ICSRJNTNSA-N 2 2 347.478 2.733 40 0 EFABLP C[NH+](CC(=O)N1CCC[C@@]2(C)[C@@H]1CCC[N@H+]2C)Cc1ccc(F)cc1 ZINC000257318088 474951645 /nfs/dbraw/zinc/95/16/45/474951645.db2.gz VMLQQBPWLNPUGH-ICSRJNTNSA-N 2 2 347.478 2.733 40 0 EFABLP CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257344759 474964734 /nfs/dbraw/zinc/96/47/34/474964734.db2.gz ZYOZVMBAESOUFC-MRXNPFEDSA-N 2 2 341.459 2.660 40 0 EFABLP C[N@H+](Cc1ccc(Cl)cc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257207259 536468114 /nfs/dbraw/zinc/46/81/14/536468114.db2.gz BHAJUEYNBKQCQG-YRXWBPOGSA-N 2 2 346.858 2.680 40 0 EFABLP C[N@@H+](Cc1ccc(Cl)cc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257207259 536468117 /nfs/dbraw/zinc/46/81/17/536468117.db2.gz BHAJUEYNBKQCQG-YRXWBPOGSA-N 2 2 346.858 2.680 40 0 EFABLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(F)cc2C)nc[nH+]1 ZINC000109069850 724704493 /nfs/dbraw/zinc/70/44/93/724704493.db2.gz ILQULOVLUGSPGQ-MRXNPFEDSA-N 2 2 329.423 2.724 40 0 EFABLP CNc1ncc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc(C)o2)cn1 ZINC000036740288 213114873 /nfs/dbraw/zinc/11/48/73/213114873.db2.gz YMVPMKFNYCCREB-UHFFFAOYSA-N 2 2 340.431 2.709 40 0 EFABLP CNc1ncc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc(C)o2)cn1 ZINC000036740288 213114874 /nfs/dbraw/zinc/11/48/74/213114874.db2.gz YMVPMKFNYCCREB-UHFFFAOYSA-N 2 2 340.431 2.709 40 0 EFABLP CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072350557 216162490 /nfs/dbraw/zinc/16/24/90/216162490.db2.gz FUQDPRGPTWJRAU-QGZVFWFLSA-N 2 2 348.454 2.999 40 0 EFABLP CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000072350557 216162491 /nfs/dbraw/zinc/16/24/91/216162491.db2.gz FUQDPRGPTWJRAU-QGZVFWFLSA-N 2 2 348.454 2.999 40 0 EFABLP Cc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072350556 216162881 /nfs/dbraw/zinc/16/28/81/216162881.db2.gz ZPEZRUHLRNNDNZ-KRWDZBQOSA-N 2 2 334.427 2.745 40 0 EFABLP Cc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000072350556 216162884 /nfs/dbraw/zinc/16/28/84/216162884.db2.gz ZPEZRUHLRNNDNZ-KRWDZBQOSA-N 2 2 334.427 2.745 40 0 EFABLP Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072355433 216163474 /nfs/dbraw/zinc/16/34/74/216163474.db2.gz XHEFFTNOTGMBAR-QGZVFWFLSA-N 2 2 334.427 2.745 40 0 EFABLP Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072355433 216163476 /nfs/dbraw/zinc/16/34/76/216163476.db2.gz XHEFFTNOTGMBAR-QGZVFWFLSA-N 2 2 334.427 2.745 40 0 EFABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072355436 216164629 /nfs/dbraw/zinc/16/46/29/216164629.db2.gz ODWUFHNZWHXGQD-KRWDZBQOSA-N 2 2 348.454 2.999 40 0 EFABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072355436 216164634 /nfs/dbraw/zinc/16/46/34/216164634.db2.gz ODWUFHNZWHXGQD-KRWDZBQOSA-N 2 2 348.454 2.999 40 0 EFABLP CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)C[NH+](C)C)n1 ZINC000072379014 216181886 /nfs/dbraw/zinc/18/18/86/216181886.db2.gz GAHLDZFNHROUOC-INIZCTEOSA-N 2 2 341.459 2.616 40 0 EFABLP CCCn1cc[nH+]c1CN1CCO[C@@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257242592 244249221 /nfs/dbraw/zinc/24/92/21/244249221.db2.gz IDGOXKDWWWWBJL-GOSISDBHSA-N 2 2 343.475 2.636 40 0 EFABLP Cn1c[nH+]cc1C[N@@H+]1[C@H](c2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257244199 244252830 /nfs/dbraw/zinc/25/28/30/244252830.db2.gz IKIWNZKFUGVPGB-BJLQDIEVSA-N 2 2 338.455 2.795 40 0 EFABLP Cn1c[nH+]cc1C[N@H+]1[C@H](c2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257244199 244252833 /nfs/dbraw/zinc/25/28/33/244252833.db2.gz IKIWNZKFUGVPGB-BJLQDIEVSA-N 2 2 338.455 2.795 40 0 EFABLP Cc1[nH+]cc(-c2nccnc2C2CC[NH+](Cc3cccnc3)CC2)n1C ZINC000257241981 244244455 /nfs/dbraw/zinc/24/44/55/244244455.db2.gz IAMYWHUKJYUPOK-UHFFFAOYSA-N 2 2 348.454 2.960 40 0 EFABLP Cc1ncsc1C[N@@H+]1CCO[C@@H](CCc2cc[nH+]c(N(C)C)c2)C1 ZINC000257268259 244367743 /nfs/dbraw/zinc/36/77/43/244367743.db2.gz MKXPXIRCJUFXLO-INIZCTEOSA-N 2 2 346.500 2.746 40 0 EFABLP Cc1ncsc1C[N@H+]1CCO[C@@H](CCc2cc[nH+]c(N(C)C)c2)C1 ZINC000257268259 244367750 /nfs/dbraw/zinc/36/77/50/244367750.db2.gz MKXPXIRCJUFXLO-INIZCTEOSA-N 2 2 346.500 2.746 40 0 EFABLP COc1cccc(C[N@@H+]2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)c1 ZINC000019565447 212043647 /nfs/dbraw/zinc/04/36/47/212043647.db2.gz WZEGBWAUFWBHPV-LJQANCHMSA-N 2 2 338.455 2.858 40 0 EFABLP COc1cccc(C[N@H+]2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)c1 ZINC000019565447 212043651 /nfs/dbraw/zinc/04/36/51/212043651.db2.gz WZEGBWAUFWBHPV-LJQANCHMSA-N 2 2 338.455 2.858 40 0 EFABLP Fc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3[NH+]2CCOCC2)cc1F ZINC000019292829 212012992 /nfs/dbraw/zinc/01/29/92/212012992.db2.gz LAJNUZGDMRUPFN-MCPYQZEQSA-N 2 2 336.426 2.898 40 0 EFABLP Fc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3[NH+]2CCOCC2)cc1F ZINC000019292829 212012993 /nfs/dbraw/zinc/01/29/93/212012993.db2.gz LAJNUZGDMRUPFN-MCPYQZEQSA-N 2 2 336.426 2.898 40 0 EFABLP Cn1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(-c2ccncc2)n1 ZINC000078612730 217087412 /nfs/dbraw/zinc/08/74/12/217087412.db2.gz BKWCKYYZFFYGRL-UHFFFAOYSA-N 2 2 344.422 2.958 40 0 EFABLP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cc1 ZINC000090891683 217955548 /nfs/dbraw/zinc/95/55/48/217955548.db2.gz JLPBCFNTBOBVIM-HXUWFJFHSA-N 2 2 343.446 2.682 40 0 EFABLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000097375025 219018460 /nfs/dbraw/zinc/01/84/60/219018460.db2.gz KOOADZUSHYLTKD-MSOLQXFVSA-N 2 2 347.484 2.566 40 0 EFABLP COc1cccc([C@H]2Cn3cc[nH+]c3CN2C2CC[NH+](C)CC2)c1 ZINC000257216168 274149235 /nfs/dbraw/zinc/14/92/35/274149235.db2.gz CTKVDDZGZODDQL-GOSISDBHSA-N 2 2 326.444 2.543 40 0 EFABLP CC(C)n1nnnc1C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000189947309 323453434 /nfs/dbraw/zinc/45/34/34/323453434.db2.gz LOMOJHHAWGZQQJ-HOTGVXAUSA-N 2 2 342.491 2.500 40 0 EFABLP Cn1cc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccsc4)C3)C2)cn1 ZINC000096046977 473269076 /nfs/dbraw/zinc/26/90/76/473269076.db2.gz XCPBOJIXTOAVRZ-SFHVURJKSA-N 2 2 330.501 2.970 40 0 EFABLP Cn1cc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccsc4)C3)C2)cn1 ZINC000096046977 473269081 /nfs/dbraw/zinc/26/90/81/473269081.db2.gz XCPBOJIXTOAVRZ-SFHVURJKSA-N 2 2 330.501 2.970 40 0 EFABLP Cn1cc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccsc4)C3)C2)cn1 ZINC000096046977 473269086 /nfs/dbraw/zinc/26/90/86/473269086.db2.gz XCPBOJIXTOAVRZ-SFHVURJKSA-N 2 2 330.501 2.970 40 0 EFABLP Cn1cc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccsc4)C3)C2)cn1 ZINC000096046977 473269092 /nfs/dbraw/zinc/26/90/92/473269092.db2.gz XCPBOJIXTOAVRZ-SFHVURJKSA-N 2 2 330.501 2.970 40 0 EFABLP Cc1ccc(C[NH+]2CCC3(C[C@H]([NH+]4CCOCC4)CO3)CC2)s1 ZINC000096047966 473269375 /nfs/dbraw/zinc/26/93/75/473269375.db2.gz RCFNDJRDYRTNMM-INIZCTEOSA-N 2 2 336.501 2.512 40 0 EFABLP COc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+]3CC2CC2)cc1 ZINC000096048918 473271766 /nfs/dbraw/zinc/27/17/66/473271766.db2.gz RTBGGFAFXQXYCZ-UHFFFAOYSA-N 2 2 330.472 2.772 40 0 EFABLP COc1ccc(C[NH+]2CCC3(CC2)COCC[N@H+]3CC2CC2)cc1 ZINC000096048918 473271775 /nfs/dbraw/zinc/27/17/75/473271775.db2.gz RTBGGFAFXQXYCZ-UHFFFAOYSA-N 2 2 330.472 2.772 40 0 EFABLP Fc1ccc(C[N@@H+]2CCOC[C@]3(CCN(c4cccc[nH+]4)C3)C2)cc1 ZINC000096062471 473285474 /nfs/dbraw/zinc/28/54/74/473285474.db2.gz MPQIKMFGBJFJGM-HXUWFJFHSA-N 2 2 341.430 2.950 40 0 EFABLP Fc1ccc(C[N@H+]2CCOC[C@]3(CCN(c4cccc[nH+]4)C3)C2)cc1 ZINC000096062471 473285478 /nfs/dbraw/zinc/28/54/78/473285478.db2.gz MPQIKMFGBJFJGM-HXUWFJFHSA-N 2 2 341.430 2.950 40 0 EFABLP c1csc(C[N@@H+]2CC[C@@]3(C2)COCC[NH+](Cc2ccncc2)C3)c1 ZINC000096062407 473285673 /nfs/dbraw/zinc/28/56/73/473285673.db2.gz SBYRITAAWVPZAV-IBGZPJMESA-N 2 2 343.496 2.868 40 0 EFABLP c1csc(C[N@H+]2CC[C@@]3(C2)COCC[NH+](Cc2ccncc2)C3)c1 ZINC000096062407 473285681 /nfs/dbraw/zinc/28/56/81/473285681.db2.gz SBYRITAAWVPZAV-IBGZPJMESA-N 2 2 343.496 2.868 40 0 EFABLP c1csc(C[NH+]2CC[C@@]3(C2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC000096062407 473285688 /nfs/dbraw/zinc/28/56/88/473285688.db2.gz SBYRITAAWVPZAV-IBGZPJMESA-N 2 2 343.496 2.868 40 0 EFABLP c1csc(C[NH+]2CC[C@@]3(C2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC000096062407 473285691 /nfs/dbraw/zinc/28/56/91/473285691.db2.gz SBYRITAAWVPZAV-IBGZPJMESA-N 2 2 343.496 2.868 40 0 EFABLP C[N@@H+](Cc1ccco1)C[C@@H]1OC[C@H]2C[NH+](Cc3nccs3)CC[C@H]21 ZINC000096185354 473327125 /nfs/dbraw/zinc/32/71/25/473327125.db2.gz WFVOQFLHJPWLBV-OIISXLGYSA-N 2 2 347.484 2.705 40 0 EFABLP C[N@H+](Cc1ccco1)C[C@@H]1OC[C@H]2C[NH+](Cc3nccs3)CC[C@H]21 ZINC000096185354 473327133 /nfs/dbraw/zinc/32/71/33/473327133.db2.gz WFVOQFLHJPWLBV-OIISXLGYSA-N 2 2 347.484 2.705 40 0 EFABLP C[NH+](Cc1ccco1)C[C@@H]1OC[C@H]2C[N@H+](Cc3nccs3)CC[C@H]21 ZINC000096185354 473327138 /nfs/dbraw/zinc/32/71/38/473327138.db2.gz WFVOQFLHJPWLBV-OIISXLGYSA-N 2 2 347.484 2.705 40 0 EFABLP C[NH+](Cc1ccco1)C[C@@H]1OC[C@H]2C[N@@H+](Cc3nccs3)CC[C@H]21 ZINC000096185354 473327144 /nfs/dbraw/zinc/32/71/44/473327144.db2.gz WFVOQFLHJPWLBV-OIISXLGYSA-N 2 2 347.484 2.705 40 0 EFABLP Cc1nc(C[NH+]2CCc3ncc(C[N@@H+](C)C(C)C)n3CC2)cs1 ZINC000096196842 473332861 /nfs/dbraw/zinc/33/28/61/473332861.db2.gz LWEVULXNHZQLKG-UHFFFAOYSA-N 2 2 333.505 2.547 40 0 EFABLP Cc1nc(C[NH+]2CCc3ncc(C[N@H+](C)C(C)C)n3CC2)cs1 ZINC000096196842 473332864 /nfs/dbraw/zinc/33/28/64/473332864.db2.gz LWEVULXNHZQLKG-UHFFFAOYSA-N 2 2 333.505 2.547 40 0 EFABLP Cc1nc(C[N@H+]2CCc3ncc(C[NH+](C)C(C)C)n3CC2)cs1 ZINC000096196842 473332869 /nfs/dbraw/zinc/33/28/69/473332869.db2.gz LWEVULXNHZQLKG-UHFFFAOYSA-N 2 2 333.505 2.547 40 0 EFABLP Cc1nc(C[N@@H+]2CCc3ncc(C[NH+](C)C(C)C)n3CC2)cs1 ZINC000096196842 473332873 /nfs/dbraw/zinc/33/28/73/473332873.db2.gz LWEVULXNHZQLKG-UHFFFAOYSA-N 2 2 333.505 2.547 40 0 EFABLP c1[nH+]cn2c1C[N@H+](CC1CCC1)C[C@H](COCc1ccccn1)C2 ZINC000096219864 473353743 /nfs/dbraw/zinc/35/37/43/473353743.db2.gz KSMLABYYTZIDMD-KRWDZBQOSA-N 2 2 326.444 2.727 40 0 EFABLP c1[nH+]cn2c1C[N@@H+](CC1CCC1)C[C@H](COCc1ccccn1)C2 ZINC000096219864 473353751 /nfs/dbraw/zinc/35/37/51/473353751.db2.gz KSMLABYYTZIDMD-KRWDZBQOSA-N 2 2 326.444 2.727 40 0 EFABLP Cc1ccccc1C[NH+]1CCC(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000009062981 471709853 /nfs/dbraw/zinc/70/98/53/471709853.db2.gz UZTAKWHLCXLAPI-UHFFFAOYSA-N 2 2 340.471 2.610 40 0 EFABLP CCOc1ccccc1OCC[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000075644815 472175175 /nfs/dbraw/zinc/17/51/75/472175175.db2.gz KCTNKKUNXZGTLP-QGZVFWFLSA-N 2 2 348.487 2.649 40 0 EFABLP CCOc1ccccc1OCC[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000075644815 472175181 /nfs/dbraw/zinc/17/51/81/472175181.db2.gz KCTNKKUNXZGTLP-QGZVFWFLSA-N 2 2 348.487 2.649 40 0 EFABLP CN(C)c1ncc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCCC2)cn1 ZINC000057823260 472479920 /nfs/dbraw/zinc/47/99/20/472479920.db2.gz ZRBZSAHFBHBGEV-SFHVURJKSA-N 2 2 331.508 2.773 40 0 EFABLP CN(C)c1ncc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCCC2)cn1 ZINC000057823260 472479927 /nfs/dbraw/zinc/47/99/27/472479927.db2.gz ZRBZSAHFBHBGEV-SFHVURJKSA-N 2 2 331.508 2.773 40 0 EFABLP CCOc1ncccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000097228280 472484011 /nfs/dbraw/zinc/48/40/11/472484011.db2.gz CLFIDMRHBRIWGB-QFBILLFUSA-N 2 2 340.471 2.876 40 0 EFABLP CCOc1ncccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000097228280 472484015 /nfs/dbraw/zinc/48/40/15/472484015.db2.gz CLFIDMRHBRIWGB-QFBILLFUSA-N 2 2 340.471 2.876 40 0 EFABLP Fc1ccc(OCC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c(F)c1 ZINC000097228504 472484397 /nfs/dbraw/zinc/48/43/97/472484397.db2.gz GQMHZLSAAQXHRI-UHFFFAOYSA-N 2 2 347.409 2.993 40 0 EFABLP c1snnc1C[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000097373133 472493576 /nfs/dbraw/zinc/49/35/76/472493576.db2.gz MOODXJKMMJJRAQ-JQHSSLGASA-N 2 2 328.485 2.928 40 0 EFABLP c1snnc1C[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000097373133 472493582 /nfs/dbraw/zinc/49/35/82/472493582.db2.gz MOODXJKMMJJRAQ-JQHSSLGASA-N 2 2 328.485 2.928 40 0 EFABLP Cc1cccc([C@H](O)C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000090521096 472630824 /nfs/dbraw/zinc/63/08/24/472630824.db2.gz ZXOVOQXAVPHNDM-HXUWFJFHSA-N 2 2 325.456 2.678 40 0 EFABLP Cc1c[nH+]ccc1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000096436400 473417095 /nfs/dbraw/zinc/41/70/95/473417095.db2.gz WMPQFFRRONHZAS-QGZVFWFLSA-N 2 2 325.412 2.620 40 0 EFABLP Cc1c[nH+]ccc1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000096436400 473417100 /nfs/dbraw/zinc/41/71/00/473417100.db2.gz WMPQFFRRONHZAS-QGZVFWFLSA-N 2 2 325.412 2.620 40 0 EFABLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000096486661 473444673 /nfs/dbraw/zinc/44/46/73/473444673.db2.gz UEZXKOOTGCJAOX-YOEHRIQHSA-N 2 2 348.454 2.930 40 0 EFABLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000096486661 473444679 /nfs/dbraw/zinc/44/46/79/473444679.db2.gz UEZXKOOTGCJAOX-YOEHRIQHSA-N 2 2 348.454 2.930 40 0 EFABLP Cc1[nH+]cc(C[NH2+][C@@H]2CCN(c3ccccn3)C2)n1-c1ccccc1 ZINC000096494400 473450524 /nfs/dbraw/zinc/45/05/24/473450524.db2.gz UIPJHGBMMDPZDZ-QGZVFWFLSA-N 2 2 333.439 2.944 40 0 EFABLP C[N@@H+]1CC[C@@H](CSc2[nH+]cnc3c2cnn3Cc2ccccc2)C1 ZINC000191204101 473506416 /nfs/dbraw/zinc/50/64/16/473506416.db2.gz VWDKEQQXMQNFKU-OAHLLOKOSA-N 2 2 339.468 2.918 40 0 EFABLP C[N@H+]1CC[C@@H](CSc2[nH+]cnc3c2cnn3Cc2ccccc2)C1 ZINC000191204101 473506424 /nfs/dbraw/zinc/50/64/24/473506424.db2.gz VWDKEQQXMQNFKU-OAHLLOKOSA-N 2 2 339.468 2.918 40 0 EFABLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC000195267095 474043420 /nfs/dbraw/zinc/04/34/20/474043420.db2.gz NQVBJXQZCMJSHG-GOSISDBHSA-N 2 2 345.512 2.898 40 0 EFABLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC000195267095 474043425 /nfs/dbraw/zinc/04/34/25/474043425.db2.gz NQVBJXQZCMJSHG-GOSISDBHSA-N 2 2 345.512 2.898 40 0 EFABLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000195267095 474043431 /nfs/dbraw/zinc/04/34/31/474043431.db2.gz NQVBJXQZCMJSHG-GOSISDBHSA-N 2 2 345.512 2.898 40 0 EFABLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000195267095 474043439 /nfs/dbraw/zinc/04/34/39/474043439.db2.gz NQVBJXQZCMJSHG-GOSISDBHSA-N 2 2 345.512 2.898 40 0 EFABLP CC(C)n1cc[nH+]c1CN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195274314 474045462 /nfs/dbraw/zinc/04/54/62/474045462.db2.gz YIVZZEJXWDTJSK-SFHVURJKSA-N 2 2 327.476 2.813 40 0 EFABLP CC(C)n1cc[nH+]c1CN1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195274314 474045468 /nfs/dbraw/zinc/04/54/68/474045468.db2.gz YIVZZEJXWDTJSK-SFHVURJKSA-N 2 2 327.476 2.813 40 0 EFABLP COC(=O)[C@@H](c1ccccc1F)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000195546674 474093473 /nfs/dbraw/zinc/09/34/73/474093473.db2.gz RPDBQORYDZWVDK-KBXCAEBGSA-N 2 2 345.418 2.728 40 0 EFABLP COC(=O)[C@@H](c1ccccc1F)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000195546674 474093477 /nfs/dbraw/zinc/09/34/77/474093477.db2.gz RPDBQORYDZWVDK-KBXCAEBGSA-N 2 2 345.418 2.728 40 0 EFABLP C[C@@H](C[NH2+][C@H](c1ccco1)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000195560643 474096686 /nfs/dbraw/zinc/09/66/86/474096686.db2.gz RMYYPJFWWXNHMZ-KXBFYZLASA-N 2 2 331.435 2.734 40 0 EFABLP Cc1ccccc1CCC(=O)N1Cc2c[nH+]cn2[C@H](CC[NH+](C)C)C1 ZINC000248077746 474256615 /nfs/dbraw/zinc/25/66/15/474256615.db2.gz BZHALDLNONAGMB-GOSISDBHSA-N 2 2 340.471 2.659 40 0 EFABLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000283221883 474343485 /nfs/dbraw/zinc/34/34/85/474343485.db2.gz SVGWSHQWTWDSEB-APWZRJJASA-N 2 2 340.471 2.970 40 0 EFABLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000283221883 474343488 /nfs/dbraw/zinc/34/34/88/474343488.db2.gz SVGWSHQWTWDSEB-APWZRJJASA-N 2 2 340.471 2.970 40 0 EFABLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000283221883 474343493 /nfs/dbraw/zinc/34/34/93/474343493.db2.gz SVGWSHQWTWDSEB-APWZRJJASA-N 2 2 340.471 2.970 40 0 EFABLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000283221883 474343503 /nfs/dbraw/zinc/34/35/03/474343503.db2.gz SVGWSHQWTWDSEB-APWZRJJASA-N 2 2 340.471 2.970 40 0 EFABLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCN(Cc4ccccc4)C3=O)n2c1 ZINC000241470680 474555962 /nfs/dbraw/zinc/55/59/62/474555962.db2.gz NWZQNPJQFYPGCY-GOSISDBHSA-N 2 2 334.423 2.533 40 0 EFABLP O=c1[nH]c([C@@H]2CCCC[NH2+]2)nc2c1CC[N@H+](Cc1cccs1)C2 ZINC000257287590 474933245 /nfs/dbraw/zinc/93/32/45/474933245.db2.gz PQPJZZMEDPFIOH-AWEZNQCLSA-N 2 2 330.457 2.617 40 0 EFABLP O=c1[nH]c([C@@H]2CCCC[NH2+]2)nc2c1CC[N@@H+](Cc1cccs1)C2 ZINC000257287590 474933254 /nfs/dbraw/zinc/93/32/54/474933254.db2.gz PQPJZZMEDPFIOH-AWEZNQCLSA-N 2 2 330.457 2.617 40 0 EFABLP [NH3+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CCCC(=O)Nc1nccs1 ZINC000257301258 474941681 /nfs/dbraw/zinc/94/16/81/474941681.db2.gz RXRSVAMHVRHNSW-CVEARBPZSA-N 2 2 344.484 2.711 40 0 EFABLP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CCCC(=O)Nc1nccs1 ZINC000257301258 474941692 /nfs/dbraw/zinc/94/16/92/474941692.db2.gz RXRSVAMHVRHNSW-CVEARBPZSA-N 2 2 344.484 2.711 40 0 EFABLP C[N@@H+]1CCN(Cc2[nH]cc[nH+]2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257311734 474947098 /nfs/dbraw/zinc/94/70/98/474947098.db2.gz UKUBNRZSTKLCQQ-INIZCTEOSA-N 2 2 335.455 2.564 40 0 EFABLP C[N@H+]1CCN(Cc2[nH]cc[nH+]2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257311734 474947109 /nfs/dbraw/zinc/94/71/09/474947109.db2.gz UKUBNRZSTKLCQQ-INIZCTEOSA-N 2 2 335.455 2.564 40 0 EFABLP Cc1cc(N(C)C)cc([C@@H]2C[N@H+](Cc3ncccc3C)CCO2)[nH+]1 ZINC000257322738 474953978 /nfs/dbraw/zinc/95/39/78/474953978.db2.gz WHEOADQWXCHLHX-IBGZPJMESA-N 2 2 326.444 2.733 40 0 EFABLP Cc1cc(N(C)C)cc([C@@H]2C[N@@H+](Cc3ncccc3C)CCO2)[nH+]1 ZINC000257322738 474953986 /nfs/dbraw/zinc/95/39/86/474953986.db2.gz WHEOADQWXCHLHX-IBGZPJMESA-N 2 2 326.444 2.733 40 0 EFABLP CC[NH+](CC)CC[C@H]1C[N@H+](Cc2scnc2C)Cc2ccnn21 ZINC000585112245 479289592 /nfs/dbraw/zinc/28/95/92/479289592.db2.gz LUJBHKAGZDGEJZ-INIZCTEOSA-N 2 2 333.505 2.937 40 0 EFABLP CC[NH+](CC)CC[C@H]1C[N@@H+](Cc2scnc2C)Cc2ccnn21 ZINC000585112245 479289596 /nfs/dbraw/zinc/28/95/96/479289596.db2.gz LUJBHKAGZDGEJZ-INIZCTEOSA-N 2 2 333.505 2.937 40 0 EFABLP O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000585289138 479308976 /nfs/dbraw/zinc/30/89/76/479308976.db2.gz MVWZRYTZQLCARR-IPMKNSEASA-N 2 2 329.444 2.614 40 0 EFABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2cncn2C)n1 ZINC000072355710 216164887 /nfs/dbraw/zinc/16/48/87/216164887.db2.gz GQZTULDQMAJWAQ-KRWDZBQOSA-N 2 2 336.443 2.900 40 0 EFABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2cncn2C)n1 ZINC000072355710 216164890 /nfs/dbraw/zinc/16/48/90/216164890.db2.gz GQZTULDQMAJWAQ-KRWDZBQOSA-N 2 2 336.443 2.900 40 0 EFABLP Cc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072350555 216161851 /nfs/dbraw/zinc/16/18/51/216161851.db2.gz ZPEZRUHLRNNDNZ-QGZVFWFLSA-N 2 2 334.427 2.745 40 0 EFABLP Cc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000072350555 216161855 /nfs/dbraw/zinc/16/18/55/216161855.db2.gz ZPEZRUHLRNNDNZ-QGZVFWFLSA-N 2 2 334.427 2.745 40 0 EFABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCCN(c3cc[nH+]c(C)n3)C2)n1 ZINC000072355611 216163651 /nfs/dbraw/zinc/16/36/51/216163651.db2.gz QIGNQSOBVXVJSP-HNNXBMFYSA-N 2 2 349.442 2.707 40 0 EFABLP Fc1ccc(CNc2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)c(F)c1 ZINC000228937409 240233673 /nfs/dbraw/zinc/23/36/73/240233673.db2.gz HLHTZWFSABOZQY-UHFFFAOYSA-N 2 2 344.369 2.641 40 0 EFABLP Cc1cc(F)ccc1Nc1[nH+]cnc2c1cnn2C1CC[NH2+]CC1 ZINC000228937527 240233840 /nfs/dbraw/zinc/23/38/40/240233840.db2.gz SXCBRPPKIRJLBH-UHFFFAOYSA-N 2 2 326.379 2.942 40 0 EFABLP S=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1cc[nH+]cc1 ZINC000225744451 242015033 /nfs/dbraw/zinc/01/50/33/242015033.db2.gz XGGWWUBQUJNHDI-UHFFFAOYSA-N 2 2 326.469 2.816 40 0 EFABLP S=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1cc[nH+]cc1 ZINC000225744451 242015039 /nfs/dbraw/zinc/01/50/39/242015039.db2.gz XGGWWUBQUJNHDI-UHFFFAOYSA-N 2 2 326.469 2.816 40 0 EFABLP Cc1ccc(C[C@@H]2CCC[N@@H+](Cc3cnc(N(C)C)nc3)C2)c[nH+]1 ZINC000257199654 244114434 /nfs/dbraw/zinc/11/44/34/244114434.db2.gz AAHNGLFOZRQJHA-KRWDZBQOSA-N 2 2 325.460 2.701 40 0 EFABLP Cc1ccc(C[C@@H]2CCC[N@H+](Cc3cnc(N(C)C)nc3)C2)c[nH+]1 ZINC000257199654 244114440 /nfs/dbraw/zinc/11/44/40/244114440.db2.gz AAHNGLFOZRQJHA-KRWDZBQOSA-N 2 2 325.460 2.701 40 0 EFABLP Fc1cccnc1C[N@@H+]1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257217599 244175178 /nfs/dbraw/zinc/17/51/78/244175178.db2.gz CZRNGCUJWABYBL-AWEZNQCLSA-N 2 2 338.390 2.576 40 0 EFABLP Fc1cccnc1C[N@H+]1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257217599 244175187 /nfs/dbraw/zinc/17/51/87/244175187.db2.gz CZRNGCUJWABYBL-AWEZNQCLSA-N 2 2 338.390 2.576 40 0 EFABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@@H+]2Cc2ccc(F)cn2)n1 ZINC000257215758 244167048 /nfs/dbraw/zinc/16/70/48/244167048.db2.gz CRMYALACBSSWNP-KRWDZBQOSA-N 2 2 329.423 2.718 40 0 EFABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@H+]2Cc2ccc(F)cn2)n1 ZINC000257215758 244167057 /nfs/dbraw/zinc/16/70/57/244167057.db2.gz CRMYALACBSSWNP-KRWDZBQOSA-N 2 2 329.423 2.718 40 0 EFABLP COc1cccc(C[N@@H+]2CCO[C@@H](CCc3cc[nH+]c(N)c3)C2)c1F ZINC000257221600 244186558 /nfs/dbraw/zinc/18/65/58/244186558.db2.gz DPUPNZOGISYYCL-INIZCTEOSA-N 2 2 345.418 2.645 40 0 EFABLP COc1cccc(C[N@H+]2CCO[C@@H](CCc3cc[nH+]c(N)c3)C2)c1F ZINC000257221600 244186562 /nfs/dbraw/zinc/18/65/62/244186562.db2.gz DPUPNZOGISYYCL-INIZCTEOSA-N 2 2 345.418 2.645 40 0 EFABLP CCc1[nH]c(C[N@@H+]2CC[C@@](C)(O)[C@H](Oc3cccc(F)c3)C2)c(C)[nH+]1 ZINC000257258523 244291714 /nfs/dbraw/zinc/29/17/14/244291714.db2.gz KUJGUPLFAZHMQX-IEBWSBKVSA-N 2 2 347.434 2.824 40 0 EFABLP CCc1[nH]c(C[N@H+]2CC[C@@](C)(O)[C@H](Oc3cccc(F)c3)C2)c(C)[nH+]1 ZINC000257258523 244291719 /nfs/dbraw/zinc/29/17/19/244291719.db2.gz KUJGUPLFAZHMQX-IEBWSBKVSA-N 2 2 347.434 2.824 40 0 EFABLP Fc1ccc(C[N@@H+]2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)nc1 ZINC000257266319 244362098 /nfs/dbraw/zinc/36/20/98/244362098.db2.gz MCMAQIXQRDKBII-CQSZACIVSA-N 2 2 338.390 2.576 40 0 EFABLP Fc1ccc(C[N@H+]2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)nc1 ZINC000257266319 244362104 /nfs/dbraw/zinc/36/21/04/244362104.db2.gz MCMAQIXQRDKBII-CQSZACIVSA-N 2 2 338.390 2.576 40 0 EFABLP CN(c1ccc(F)cc1)[C@@H]1COC2(C1)CC[NH+](Cc1c[nH+]c[nH]1)CC2 ZINC000257276651 244395363 /nfs/dbraw/zinc/39/53/63/244395363.db2.gz NUPFMFZQZLRABI-SFHVURJKSA-N 2 2 344.434 2.809 40 0 EFABLP Cc1cc(C[N@H+]2CCC3(CC(N(C)c4cc(C)[nH+]cn4)C3)C2)no1 ZINC000257277888 244397711 /nfs/dbraw/zinc/39/77/11/244397711.db2.gz NZXKVRRVHRDYKB-UHFFFAOYSA-N 2 2 327.432 2.572 40 0 EFABLP Cc1cc(C[N@@H+]2CCC3(CC(N(C)c4cc(C)[nH+]cn4)C3)C2)no1 ZINC000257277888 244397712 /nfs/dbraw/zinc/39/77/12/244397712.db2.gz NZXKVRRVHRDYKB-UHFFFAOYSA-N 2 2 327.432 2.572 40 0 EFABLP Cc1c[nH]c([C@H]2CCCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)[nH+]1 ZINC000257278222 244398349 /nfs/dbraw/zinc/39/83/49/244398349.db2.gz OBITZBOBDOSXTH-HNNXBMFYSA-N 2 2 329.448 2.834 40 0 EFABLP CC(C)N(C[C@@H]1CCC[N@H+](CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411701 217221706 /nfs/dbraw/zinc/22/17/06/217221706.db2.gz JRTBETIIYCORLU-GOSISDBHSA-N 2 2 333.476 2.704 40 0 EFABLP CC(C)N(C[C@@H]1CCC[N@@H+](CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411701 217221708 /nfs/dbraw/zinc/22/17/08/217221708.db2.gz JRTBETIIYCORLU-GOSISDBHSA-N 2 2 333.476 2.704 40 0 EFABLP CC(C)N(C[C@@H]1CCCC[N@@H+]1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411623 217221759 /nfs/dbraw/zinc/22/17/59/217221759.db2.gz CFCVSRPAOQYBQB-SFHVURJKSA-N 2 2 333.476 2.847 40 0 EFABLP CC(C)N(C[C@@H]1CCCC[N@H+]1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411623 217221761 /nfs/dbraw/zinc/22/17/61/217221761.db2.gz CFCVSRPAOQYBQB-SFHVURJKSA-N 2 2 333.476 2.847 40 0 EFABLP COc1ccccc1C[N@H+]1Cc2ccnn2[C@@H](CC[NH+]2CCCC2)C1 ZINC000248123447 278049850 /nfs/dbraw/zinc/04/98/50/278049850.db2.gz GFFVJLGHFVUKBU-IBGZPJMESA-N 2 2 340.471 2.935 40 0 EFABLP COc1ccccc1C[N@@H+]1Cc2ccnn2[C@@H](CC[NH+]2CCCC2)C1 ZINC000248123447 278049851 /nfs/dbraw/zinc/04/98/51/278049851.db2.gz GFFVJLGHFVUKBU-IBGZPJMESA-N 2 2 340.471 2.935 40 0 EFABLP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000329876450 311295841 /nfs/dbraw/zinc/29/58/41/311295841.db2.gz IALZZPHNXWBICJ-INIZCTEOSA-N 2 2 332.492 2.845 40 0 EFABLP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000329876450 311295842 /nfs/dbraw/zinc/29/58/42/311295842.db2.gz IALZZPHNXWBICJ-INIZCTEOSA-N 2 2 332.492 2.845 40 0 EFABLP Cc1ccc(C[NH+]2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)s1 ZINC000096036999 473258576 /nfs/dbraw/zinc/25/85/76/473258576.db2.gz GRAGYOOKDBKVAR-UHFFFAOYSA-N 2 2 330.501 2.998 40 0 EFABLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1nccs1)CC2 ZINC000096048007 473269949 /nfs/dbraw/zinc/26/99/49/473269949.db2.gz MJXUJYLKLUHPCU-HNNXBMFYSA-N 2 2 347.484 2.992 40 0 EFABLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1nccs1)CC2 ZINC000096048007 473269953 /nfs/dbraw/zinc/26/99/53/473269953.db2.gz MJXUJYLKLUHPCU-HNNXBMFYSA-N 2 2 347.484 2.992 40 0 EFABLP CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1C[NH+](Cc1ccco1)CCC2 ZINC000096055898 473278102 /nfs/dbraw/zinc/27/81/02/473278102.db2.gz UVTWVZUZVUPLDF-LPHOPBHVSA-N 2 2 334.460 2.765 40 0 EFABLP CCOC(=O)[C@@]12C[N@H+](C(C)C)C[C@@H]1C[NH+](Cc1ccco1)CCC2 ZINC000096055898 473278104 /nfs/dbraw/zinc/27/81/04/473278104.db2.gz UVTWVZUZVUPLDF-LPHOPBHVSA-N 2 2 334.460 2.765 40 0 EFABLP CCOC(=O)[C@@]12C[NH+](C(C)C)C[C@@H]1C[N@H+](Cc1ccco1)CCC2 ZINC000096055898 473278111 /nfs/dbraw/zinc/27/81/11/473278111.db2.gz UVTWVZUZVUPLDF-LPHOPBHVSA-N 2 2 334.460 2.765 40 0 EFABLP CCOC(=O)[C@@]12C[NH+](C(C)C)C[C@@H]1C[N@@H+](Cc1ccco1)CCC2 ZINC000096055898 473278116 /nfs/dbraw/zinc/27/81/16/473278116.db2.gz UVTWVZUZVUPLDF-LPHOPBHVSA-N 2 2 334.460 2.765 40 0 EFABLP c1cc(C[N@H+]2CCc3c(COCC[NH+]4CCCC4)cncc3C2)co1 ZINC000096067362 473287743 /nfs/dbraw/zinc/28/77/43/473287743.db2.gz DALSYICAXIGRNQ-UHFFFAOYSA-N 2 2 341.455 2.845 40 0 EFABLP c1cc(C[N@@H+]2CCc3c(COCC[NH+]4CCCC4)cncc3C2)co1 ZINC000096067362 473287752 /nfs/dbraw/zinc/28/77/52/473287752.db2.gz DALSYICAXIGRNQ-UHFFFAOYSA-N 2 2 341.455 2.845 40 0 EFABLP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccsc3)CC[C@@H]21 ZINC000096185635 473325683 /nfs/dbraw/zinc/32/56/83/473325683.db2.gz GGGBCNNJGOTMOJ-SQNIBIBYSA-N 2 2 345.516 2.713 40 0 EFABLP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccsc3)CC[C@@H]21 ZINC000096185635 473325689 /nfs/dbraw/zinc/32/56/89/473325689.db2.gz GGGBCNNJGOTMOJ-SQNIBIBYSA-N 2 2 345.516 2.713 40 0 EFABLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3ccsc3)CC[C@@H]21 ZINC000096185635 473325694 /nfs/dbraw/zinc/32/56/94/473325694.db2.gz GGGBCNNJGOTMOJ-SQNIBIBYSA-N 2 2 345.516 2.713 40 0 EFABLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccsc3)CC[C@@H]21 ZINC000096185635 473325698 /nfs/dbraw/zinc/32/56/98/473325698.db2.gz GGGBCNNJGOTMOJ-SQNIBIBYSA-N 2 2 345.516 2.713 40 0 EFABLP Cc1cccc(C[N@H+]2CCc3ncc(CNc4cccc[nH+]4)n3CC2)n1 ZINC000096197108 473332077 /nfs/dbraw/zinc/33/20/77/473332077.db2.gz DFSSSZUMEKIUMW-UHFFFAOYSA-N 2 2 348.454 2.652 40 0 EFABLP Cc1cccc(C[N@@H+]2CCc3ncc(CNc4cccc[nH+]4)n3CC2)n1 ZINC000096197108 473332083 /nfs/dbraw/zinc/33/20/83/473332083.db2.gz DFSSSZUMEKIUMW-UHFFFAOYSA-N 2 2 348.454 2.652 40 0 EFABLP Cc1ccc(C[N@H+]2CCc3[nH+]cc(Cn4cccn4)n3CC2)s1 ZINC000096196937 473332504 /nfs/dbraw/zinc/33/25/04/473332504.db2.gz VWLGKYUNYKRWJF-UHFFFAOYSA-N 2 2 327.457 2.556 40 0 EFABLP Cc1ccc(C[N@@H+]2CCc3[nH+]cc(Cn4cccn4)n3CC2)s1 ZINC000096196937 473332508 /nfs/dbraw/zinc/33/25/08/473332508.db2.gz VWLGKYUNYKRWJF-UHFFFAOYSA-N 2 2 327.457 2.556 40 0 EFABLP c1csc(C[N@@H+]2CC[C@@]3(C2)COCC[NH+](Cc2cccnc2)C3)c1 ZINC000096202177 473337917 /nfs/dbraw/zinc/33/79/17/473337917.db2.gz WZIFMGPUUPMFOC-IBGZPJMESA-N 2 2 343.496 2.868 40 0 EFABLP c1csc(C[N@H+]2CC[C@@]3(C2)COCC[NH+](Cc2cccnc2)C3)c1 ZINC000096202177 473337922 /nfs/dbraw/zinc/33/79/22/473337922.db2.gz WZIFMGPUUPMFOC-IBGZPJMESA-N 2 2 343.496 2.868 40 0 EFABLP c1csc(C[NH+]2CC[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC000096202177 473337930 /nfs/dbraw/zinc/33/79/30/473337930.db2.gz WZIFMGPUUPMFOC-IBGZPJMESA-N 2 2 343.496 2.868 40 0 EFABLP c1csc(C[NH+]2CC[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC000096202177 473337936 /nfs/dbraw/zinc/33/79/36/473337936.db2.gz WZIFMGPUUPMFOC-IBGZPJMESA-N 2 2 343.496 2.868 40 0 EFABLP c1csc(C[N@@H+]2CC[C@]3(C2)COCC[NH+](Cc2ccccn2)C3)c1 ZINC000096202176 473338295 /nfs/dbraw/zinc/33/82/95/473338295.db2.gz JHQLOCGHGWXDBY-LJQANCHMSA-N 2 2 343.496 2.868 40 0 EFABLP c1csc(C[N@H+]2CC[C@]3(C2)COCC[NH+](Cc2ccccn2)C3)c1 ZINC000096202176 473338300 /nfs/dbraw/zinc/33/83/00/473338300.db2.gz JHQLOCGHGWXDBY-LJQANCHMSA-N 2 2 343.496 2.868 40 0 EFABLP c1csc(C[NH+]2CC[C@]3(C2)COCC[N@H+](Cc2ccccn2)C3)c1 ZINC000096202176 473338309 /nfs/dbraw/zinc/33/83/09/473338309.db2.gz JHQLOCGHGWXDBY-LJQANCHMSA-N 2 2 343.496 2.868 40 0 EFABLP c1csc(C[NH+]2CC[C@]3(C2)COCC[N@@H+](Cc2ccccn2)C3)c1 ZINC000096202176 473338316 /nfs/dbraw/zinc/33/83/16/473338316.db2.gz JHQLOCGHGWXDBY-LJQANCHMSA-N 2 2 343.496 2.868 40 0 EFABLP Cc1cccc(C[N@@H+]2CCOC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)n1 ZINC000096202248 473338401 /nfs/dbraw/zinc/33/84/01/473338401.db2.gz BOTPYAIURMYQPX-FQEVSTJZSA-N 2 2 338.455 2.514 40 0 EFABLP Cc1cccc(C[N@H+]2CCOC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)n1 ZINC000096202248 473338410 /nfs/dbraw/zinc/33/84/10/473338410.db2.gz BOTPYAIURMYQPX-FQEVSTJZSA-N 2 2 338.455 2.514 40 0 EFABLP c1csc(C[NH+]2CCOC[C@]3(CC[N@@H+](Cc4cccnc4)C3)C2)c1 ZINC000096202098 473339373 /nfs/dbraw/zinc/33/93/73/473339373.db2.gz BVFSPEOCGOHPNL-IBGZPJMESA-N 2 2 343.496 2.868 40 0 EFABLP c1csc(C[NH+]2CCOC[C@]3(CC[N@H+](Cc4cccnc4)C3)C2)c1 ZINC000096202098 473339383 /nfs/dbraw/zinc/33/93/83/473339383.db2.gz BVFSPEOCGOHPNL-IBGZPJMESA-N 2 2 343.496 2.868 40 0 EFABLP c1csc(C[N@H+]2CCOC[C@]3(CC[NH+](Cc4cccnc4)C3)C2)c1 ZINC000096202098 473339391 /nfs/dbraw/zinc/33/93/91/473339391.db2.gz BVFSPEOCGOHPNL-IBGZPJMESA-N 2 2 343.496 2.868 40 0 EFABLP c1csc(C[N@@H+]2CCOC[C@]3(CC[NH+](Cc4cccnc4)C3)C2)c1 ZINC000096202098 473339396 /nfs/dbraw/zinc/33/93/96/473339396.db2.gz BVFSPEOCGOHPNL-IBGZPJMESA-N 2 2 343.496 2.868 40 0 EFABLP Cc1cc(C[N@@H+]2CC[C@]3(C2)C[C@H](Nc2cccc[nH+]2)CCO3)no1 ZINC000096209227 473344558 /nfs/dbraw/zinc/34/45/58/473344558.db2.gz HSIZXHCMSNKBSV-CRAIPNDOSA-N 2 2 328.416 2.614 40 0 EFABLP Cc1cc(C[N@H+]2CC[C@]3(C2)C[C@H](Nc2cccc[nH+]2)CCO3)no1 ZINC000096209227 473344562 /nfs/dbraw/zinc/34/45/62/473344562.db2.gz HSIZXHCMSNKBSV-CRAIPNDOSA-N 2 2 328.416 2.614 40 0 EFABLP Cc1noc(C)c1C[N@@H+]1CC[C@@]2(C[C@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096219042 473352083 /nfs/dbraw/zinc/35/20/83/473352083.db2.gz KNKFMFCBSKUHJW-MAUKXSAKSA-N 2 2 328.416 2.532 40 0 EFABLP Cc1noc(C)c1C[N@H+]1CC[C@@]2(C[C@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096219042 473352088 /nfs/dbraw/zinc/35/20/88/473352088.db2.gz KNKFMFCBSKUHJW-MAUKXSAKSA-N 2 2 328.416 2.532 40 0 EFABLP c1[nH+]cn2c1C[N@H+](CC1CCC1)C[C@@H](COCc1ccccn1)C2 ZINC000096219866 473354410 /nfs/dbraw/zinc/35/44/10/473354410.db2.gz KSMLABYYTZIDMD-QGZVFWFLSA-N 2 2 326.444 2.727 40 0 EFABLP c1[nH+]cn2c1C[N@@H+](CC1CCC1)C[C@@H](COCc1ccccn1)C2 ZINC000096219866 473354416 /nfs/dbraw/zinc/35/44/16/473354416.db2.gz KSMLABYYTZIDMD-QGZVFWFLSA-N 2 2 326.444 2.727 40 0 EFABLP Cn1nc(C[NH+]2CCCC2)c2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000096255904 473366600 /nfs/dbraw/zinc/36/66/00/473366600.db2.gz RKZWFZFIHIEVPE-UHFFFAOYSA-N 2 2 328.435 2.713 40 0 EFABLP Cn1nc(C[NH+]2CCCC2)c2c1C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000096255904 473366607 /nfs/dbraw/zinc/36/66/07/473366607.db2.gz RKZWFZFIHIEVPE-UHFFFAOYSA-N 2 2 328.435 2.713 40 0 EFABLP C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000076367455 472332019 /nfs/dbraw/zinc/33/20/19/472332019.db2.gz MFADYMDLENPFCY-KRWDZBQOSA-N 2 2 340.471 2.783 40 0 EFABLP C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000076367455 472332022 /nfs/dbraw/zinc/33/20/22/472332022.db2.gz MFADYMDLENPFCY-KRWDZBQOSA-N 2 2 340.471 2.783 40 0 EFABLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC000076387736 472336235 /nfs/dbraw/zinc/33/62/35/472336235.db2.gz CZVSGWYSUOBCKO-SFHVURJKSA-N 2 2 340.471 2.786 40 0 EFABLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC000076387736 472336241 /nfs/dbraw/zinc/33/62/41/472336241.db2.gz CZVSGWYSUOBCKO-SFHVURJKSA-N 2 2 340.471 2.786 40 0 EFABLP COc1cccc([C@@H]2[C@H]([NH2+]C3CC[NH+](C)CC3)CCN2C2CC2)c1 ZINC000157041131 472777584 /nfs/dbraw/zinc/77/75/84/472777584.db2.gz DILBIQPHBVSQLP-WOJBJXKFSA-N 2 2 329.488 2.657 40 0 EFABLP COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000091595310 472781193 /nfs/dbraw/zinc/78/11/93/472781193.db2.gz GXESMGQYKJWSJG-ZFWWWQNUSA-N 2 2 330.384 2.984 40 0 EFABLP COC(=O)c1oc([C@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000091595310 472781197 /nfs/dbraw/zinc/78/11/97/472781197.db2.gz GXESMGQYKJWSJG-ZFWWWQNUSA-N 2 2 330.384 2.984 40 0 EFABLP C[NH+]1CCC(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC000074920960 473094068 /nfs/dbraw/zinc/09/40/68/473094068.db2.gz KDTWYFZGTQTDJM-VMPITWQZSA-N 2 2 341.499 2.576 40 0 EFABLP CN(C)c1ccc(CNc2ccc(OC3CC[NH+](C)CC3)nc2)c[nH+]1 ZINC000096484937 473443266 /nfs/dbraw/zinc/44/32/66/473443266.db2.gz JOBGHPWAEGMYOA-UHFFFAOYSA-N 2 2 341.459 2.628 40 0 EFABLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cccc(O)c2)nc[nH+]1 ZINC000194921552 473975789 /nfs/dbraw/zinc/97/57/89/473975789.db2.gz VVFGZQLJTZRXHY-DZGCQCFKSA-N 2 2 327.432 2.544 40 0 EFABLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2cnccn2)C1 ZINC000195248706 474038520 /nfs/dbraw/zinc/03/85/20/474038520.db2.gz WBYZORUJUFCYPI-GJZGRUSLSA-N 2 2 331.489 2.756 40 0 EFABLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2cnccn2)C1 ZINC000195248706 474038531 /nfs/dbraw/zinc/03/85/31/474038531.db2.gz WBYZORUJUFCYPI-GJZGRUSLSA-N 2 2 331.489 2.756 40 0 EFABLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cnccn2)C1 ZINC000195248706 474038537 /nfs/dbraw/zinc/03/85/37/474038537.db2.gz WBYZORUJUFCYPI-GJZGRUSLSA-N 2 2 331.489 2.756 40 0 EFABLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cnccn2)C1 ZINC000195248706 474038540 /nfs/dbraw/zinc/03/85/40/474038540.db2.gz WBYZORUJUFCYPI-GJZGRUSLSA-N 2 2 331.489 2.756 40 0 EFABLP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC000195298477 474053592 /nfs/dbraw/zinc/05/35/92/474053592.db2.gz NLNMBJCSRMRDGL-HXUWFJFHSA-N 2 2 325.456 2.528 40 0 EFABLP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC000195298477 474053600 /nfs/dbraw/zinc/05/36/00/474053600.db2.gz NLNMBJCSRMRDGL-HXUWFJFHSA-N 2 2 325.456 2.528 40 0 EFABLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000195298477 474053605 /nfs/dbraw/zinc/05/36/05/474053605.db2.gz NLNMBJCSRMRDGL-HXUWFJFHSA-N 2 2 325.456 2.528 40 0 EFABLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000195298477 474053612 /nfs/dbraw/zinc/05/36/12/474053612.db2.gz NLNMBJCSRMRDGL-HXUWFJFHSA-N 2 2 325.456 2.528 40 0 EFABLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2COc3ccccc3O2)CC1 ZINC000195556398 474094785 /nfs/dbraw/zinc/09/47/85/474094785.db2.gz YZBZPKAZRCMCBC-AWEZNQCLSA-N 2 2 344.377 2.833 40 0 EFABLP Cc1cc(N2CC[NH2+]CC2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000225321289 474207145 /nfs/dbraw/zinc/20/71/45/474207145.db2.gz FUFIHTHVVGBEPC-UHFFFAOYSA-N 2 2 333.233 2.624 40 0 EFABLP OC1(c2csc(C[NH+]3CCC3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000225421491 474211196 /nfs/dbraw/zinc/21/11/96/474211196.db2.gz JIQRBVAHBPMVBZ-UHFFFAOYSA-N 2 2 343.496 2.832 40 0 biogenic,in-vitro EFABLP CC[NH+](CC)CC[C@H]1CN(C(=O)c2ccoc2C)Cc2c[nH+]cn21 ZINC000248059966 474253631 /nfs/dbraw/zinc/25/36/31/474253631.db2.gz ZTBAAIMDNSFZJR-HNNXBMFYSA-N 2 2 330.432 2.714 40 0 EFABLP CC(C)c1ccnc(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)n1 ZINC000189208367 474324778 /nfs/dbraw/zinc/32/47/78/474324778.db2.gz DMHJXYOYZHSEQJ-UHFFFAOYSA-N 2 2 331.508 2.598 40 0 EFABLP Cn1ccc(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000240894826 474551966 /nfs/dbraw/zinc/55/19/66/474551966.db2.gz IQFDQTQVCUKZAR-DYVFJYSZSA-N 2 2 336.842 2.995 40 0 EFABLP Cn1ccc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000240894826 474551974 /nfs/dbraw/zinc/55/19/74/474551974.db2.gz IQFDQTQVCUKZAR-DYVFJYSZSA-N 2 2 336.842 2.995 40 0 EFABLP c1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000252584998 474698342 /nfs/dbraw/zinc/69/83/42/474698342.db2.gz FLESUZALCHSUTR-RDGPPVDQSA-N 2 2 337.471 2.613 40 0 EFABLP c1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000252584998 474698346 /nfs/dbraw/zinc/69/83/46/474698346.db2.gz FLESUZALCHSUTR-RDGPPVDQSA-N 2 2 337.471 2.613 40 0 EFABLP Cc1ccc(C[NH+]2CC[C@H](F)[C@@]3(CC[N@@H+](Cc4cnn(C)c4)C3)C2)o1 ZINC000306135413 474809193 /nfs/dbraw/zinc/80/91/93/474809193.db2.gz OQAPZIMNYAKCNM-OALUTQOASA-N 2 2 346.450 2.758 40 0 EFABLP Cc1ccc(C[N@@H+]2CC[C@H](F)[C@@]3(CC[NH+](Cc4cnn(C)c4)C3)C2)o1 ZINC000306135413 474809209 /nfs/dbraw/zinc/80/92/09/474809209.db2.gz OQAPZIMNYAKCNM-OALUTQOASA-N 2 2 346.450 2.758 40 0 EFABLP Cc1ccc(C[N@H+]2CC[C@H](F)[C@@]3(CC[NH+](Cc4cnn(C)c4)C3)C2)o1 ZINC000306135413 474809214 /nfs/dbraw/zinc/80/92/14/474809214.db2.gz OQAPZIMNYAKCNM-OALUTQOASA-N 2 2 346.450 2.758 40 0 EFABLP Cn1cc(-c2c[nH+]c3n2C[C@H]2C[N@@H+](Cc4ccccc4)C[C@H]2C3)cn1 ZINC000306144459 474812041 /nfs/dbraw/zinc/81/20/41/474812041.db2.gz ZFYUASLYBDVJTO-SJLPKXTDSA-N 2 2 333.439 2.588 40 0 EFABLP Cn1cc(-c2c[nH+]c3n2C[C@H]2C[N@H+](Cc4ccccc4)C[C@H]2C3)cn1 ZINC000306144459 474812046 /nfs/dbraw/zinc/81/20/46/474812046.db2.gz ZFYUASLYBDVJTO-SJLPKXTDSA-N 2 2 333.439 2.588 40 0 EFABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@H+]2Cc2nccn2C(C)C)n1 ZINC000257278635 474927752 /nfs/dbraw/zinc/92/77/52/474927752.db2.gz OCZSQMXNIFKDAL-QGZVFWFLSA-N 2 2 342.491 2.961 40 0 EFABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@@H+]2Cc2nccn2C(C)C)n1 ZINC000257278635 474927761 /nfs/dbraw/zinc/92/77/61/474927761.db2.gz OCZSQMXNIFKDAL-QGZVFWFLSA-N 2 2 342.491 2.961 40 0 EFABLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2nccs2)CC1 ZINC000585139779 479298015 /nfs/dbraw/zinc/29/80/15/479298015.db2.gz KSDYQUYTTULENB-UHFFFAOYSA-N 2 2 336.892 2.838 40 0 EFABLP O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000585290053 479310443 /nfs/dbraw/zinc/31/04/43/479310443.db2.gz QURQBKHWJBTBED-IPMKNSEASA-N 2 2 336.451 2.562 40 0 EFABLP CCCn1c(C)nnc1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000159141328 528814948 /nfs/dbraw/zinc/81/49/48/528814948.db2.gz LDQZVARNQYJOEQ-MRXNPFEDSA-N 2 2 328.464 2.634 40 0 EFABLP CCCn1c(C)nnc1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000159141328 528814952 /nfs/dbraw/zinc/81/49/52/528814952.db2.gz LDQZVARNQYJOEQ-MRXNPFEDSA-N 2 2 328.464 2.634 40 0 EFABLP c1cn(-c2ccccc2C[NH2+]Cc2c[nH]nc2-c2cccnc2)c[nH+]1 ZINC000078612748 202398624 /nfs/dbraw/zinc/39/86/24/202398624.db2.gz JLCTZVKROSBJRO-UHFFFAOYSA-N 2 2 330.395 2.947 40 0 EFABLP CC[NH+](CC)CC[C@@H]1CN(C(=O)c2cccc(F)c2)Cc2c[nH+]cn21 ZINC000248261591 243553585 /nfs/dbraw/zinc/55/35/85/243553585.db2.gz QVOYYZGAVVMCAB-QGZVFWFLSA-N 2 2 344.434 2.951 40 0 EFABLP Cc1ccc(C[C@H]2CCC[N@@H+](Cc3cnc(N(C)C)nc3)C2)c[nH+]1 ZINC000257199655 244114590 /nfs/dbraw/zinc/11/45/90/244114590.db2.gz AAHNGLFOZRQJHA-QGZVFWFLSA-N 2 2 325.460 2.701 40 0 EFABLP Cc1ccc(C[C@H]2CCC[N@H+](Cc3cnc(N(C)C)nc3)C2)c[nH+]1 ZINC000257199655 244114594 /nfs/dbraw/zinc/11/45/94/244114594.db2.gz AAHNGLFOZRQJHA-QGZVFWFLSA-N 2 2 325.460 2.701 40 0 EFABLP COc1cccc(C[N@@H+]2CCO[C@H](CCc3cc[nH+]c(N)c3)C2)c1F ZINC000257221601 244185657 /nfs/dbraw/zinc/18/56/57/244185657.db2.gz DPUPNZOGISYYCL-MRXNPFEDSA-N 2 2 345.418 2.645 40 0 EFABLP COc1cccc(C[N@H+]2CCO[C@H](CCc3cc[nH+]c(N)c3)C2)c1F ZINC000257221601 244185662 /nfs/dbraw/zinc/18/56/62/244185662.db2.gz DPUPNZOGISYYCL-MRXNPFEDSA-N 2 2 345.418 2.645 40 0 EFABLP Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)[nH+]1 ZINC000257225710 244199600 /nfs/dbraw/zinc/19/96/00/244199600.db2.gz FHKQICIWPABFSN-QGZVFWFLSA-N 2 2 326.444 2.800 40 0 EFABLP Cn1c[nH+]cc1CN1CC[N@H+](C)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257226428 244202723 /nfs/dbraw/zinc/20/27/23/244202723.db2.gz FKORNUUWSSZDND-KRWDZBQOSA-N 2 2 349.482 2.575 40 0 EFABLP Cn1c[nH+]cc1CN1CC[N@@H+](C)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257226428 244202727 /nfs/dbraw/zinc/20/27/27/244202727.db2.gz FKORNUUWSSZDND-KRWDZBQOSA-N 2 2 349.482 2.575 40 0 EFABLP C[NH+](C)Cc1cnc(CC2CC[NH+](Cc3ncccc3F)CC2)cn1 ZINC000257219518 244178203 /nfs/dbraw/zinc/17/82/03/244178203.db2.gz DHBJVONXXIJSDJ-UHFFFAOYSA-N 2 2 343.450 2.527 40 0 EFABLP CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)C[NH+](C)C)n1 ZINC000072379015 203211104 /nfs/dbraw/zinc/21/11/04/203211104.db2.gz GAHLDZFNHROUOC-MRXNPFEDSA-N 2 2 341.459 2.616 40 0 EFABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072378638 203211228 /nfs/dbraw/zinc/21/12/28/203211228.db2.gz QQGWBUMAKCIFGO-KRWDZBQOSA-N 2 2 334.427 2.957 40 0 EFABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072378638 203211232 /nfs/dbraw/zinc/21/12/32/203211232.db2.gz QQGWBUMAKCIFGO-KRWDZBQOSA-N 2 2 334.427 2.957 40 0 EFABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072355424 203204059 /nfs/dbraw/zinc/20/40/59/203204059.db2.gz FQSMDIJVYIXOMK-MRXNPFEDSA-N 2 2 348.454 2.999 40 0 EFABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072355424 203204064 /nfs/dbraw/zinc/20/40/64/203204064.db2.gz FQSMDIJVYIXOMK-MRXNPFEDSA-N 2 2 348.454 2.999 40 0 EFABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072355425 203204280 /nfs/dbraw/zinc/20/42/80/203204280.db2.gz FQSMDIJVYIXOMK-INIZCTEOSA-N 2 2 348.454 2.999 40 0 EFABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072355425 203204284 /nfs/dbraw/zinc/20/42/84/203204284.db2.gz FQSMDIJVYIXOMK-INIZCTEOSA-N 2 2 348.454 2.999 40 0 EFABLP Cc1sc2c([C@H]3CCCN(C(=O)C[NH+](C)C)C3)[nH+]c(C)n2c1C ZINC000072351270 203204471 /nfs/dbraw/zinc/20/44/71/203204471.db2.gz YOIMWYFOVSNRNJ-AWEZNQCLSA-N 2 2 334.489 2.589 40 0 EFABLP COc1ccc(C[N@@H+]2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)cc1 ZINC000257266635 244363759 /nfs/dbraw/zinc/36/37/59/244363759.db2.gz MDVGUHPHVBBMSN-GOSISDBHSA-N 2 2 326.444 2.884 40 0 EFABLP COc1ccc(C[N@H+]2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)cc1 ZINC000257266635 244363760 /nfs/dbraw/zinc/36/37/60/244363760.db2.gz MDVGUHPHVBBMSN-GOSISDBHSA-N 2 2 326.444 2.884 40 0 EFABLP Cc1cnccc1C[N@@H+]1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257271361 244379586 /nfs/dbraw/zinc/37/95/86/244379586.db2.gz MXZIJWZYUQNNCS-QGZVFWFLSA-N 2 2 334.427 2.745 40 0 EFABLP Cc1cnccc1C[N@H+]1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257271361 244379592 /nfs/dbraw/zinc/37/95/92/244379592.db2.gz MXZIJWZYUQNNCS-QGZVFWFLSA-N 2 2 334.427 2.745 40 0 EFABLP Cn1c[nH+]c(CN2CC[N@H+](C)C[C@@H](Cc3cccc4cccnc43)C2)c1 ZINC000257270388 244376782 /nfs/dbraw/zinc/37/67/82/244376782.db2.gz MUAOLEFBTZBCGG-QGZVFWFLSA-N 2 2 349.482 2.575 40 0 EFABLP Cn1c[nH+]c(CN2CC[N@@H+](C)C[C@@H](Cc3cccc4cccnc43)C2)c1 ZINC000257270388 244376785 /nfs/dbraw/zinc/37/67/85/244376785.db2.gz MUAOLEFBTZBCGG-QGZVFWFLSA-N 2 2 349.482 2.575 40 0 EFABLP Cc1ccc(C[N@@H+]2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)cn1 ZINC000257272297 244381633 /nfs/dbraw/zinc/38/16/33/244381633.db2.gz NBWHRNNFKKMVCB-KRWDZBQOSA-N 2 2 334.427 2.745 40 0 EFABLP Cc1ccc(C[N@H+]2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)cn1 ZINC000257272297 244381640 /nfs/dbraw/zinc/38/16/40/244381640.db2.gz NBWHRNNFKKMVCB-KRWDZBQOSA-N 2 2 334.427 2.745 40 0 EFABLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]21 ZINC000107203599 204228789 /nfs/dbraw/zinc/22/87/89/204228789.db2.gz LESHMQWAOUEQKD-AABGKKOBSA-N 2 2 339.487 2.652 40 0 EFABLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]21 ZINC000107203599 204228792 /nfs/dbraw/zinc/22/87/92/204228792.db2.gz LESHMQWAOUEQKD-AABGKKOBSA-N 2 2 339.487 2.652 40 0 EFABLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]21 ZINC000107203599 204228797 /nfs/dbraw/zinc/22/87/97/204228797.db2.gz LESHMQWAOUEQKD-AABGKKOBSA-N 2 2 339.487 2.652 40 0 EFABLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]21 ZINC000107203599 204228799 /nfs/dbraw/zinc/22/87/99/204228799.db2.gz LESHMQWAOUEQKD-AABGKKOBSA-N 2 2 339.487 2.652 40 0 EFABLP Cn1c[nH+]cc1C[NH+]1CCC2(CC(NC(=O)c3ccsc3)C2)CC1 ZINC000108529324 204266403 /nfs/dbraw/zinc/26/64/03/204266403.db2.gz PWWVXPAKRPHADH-UHFFFAOYSA-N 2 2 344.484 2.656 40 0 EFABLP CCC[NH+]1CCN(C2CCN(c3cc(C)[nH+]c(C4CC4)n3)CC2)CC1 ZINC000095397830 218329522 /nfs/dbraw/zinc/32/95/22/218329522.db2.gz VONUESZCGPEQSC-UHFFFAOYSA-N 2 2 343.519 2.659 40 0 EFABLP C[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(=O)N1CCCC[C@H]1C ZINC000097236322 323214233 /nfs/dbraw/zinc/21/42/33/323214233.db2.gz FUAXXSRIZVDXPN-ZIAGYGMSSA-N 2 2 349.441 2.782 40 0 EFABLP COc1ccc(C[NH+]2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)cc1 ZINC000096037001 473258813 /nfs/dbraw/zinc/25/88/13/473258813.db2.gz PAFZCRRHDKXVTC-UHFFFAOYSA-N 2 2 340.471 2.637 40 0 EFABLP Cc1ccc(C[NH+]2CCC3(C[C@@H]([NH+]4CCOCC4)CO3)CC2)s1 ZINC000096047967 473269752 /nfs/dbraw/zinc/26/97/52/473269752.db2.gz RCFNDJRDYRTNMM-MRXNPFEDSA-N 2 2 336.501 2.512 40 0 EFABLP Cc1noc(C)c1C[N@@H+]1CC[C@@H]2C[NH+](CCC(F)(F)F)C[C@@H]2C1 ZINC000096081447 473292380 /nfs/dbraw/zinc/29/23/80/473292380.db2.gz BEVGCEVJIQLVLI-KGLIPLIRSA-N 2 2 331.382 2.998 40 0 EFABLP Cc1noc(C)c1C[N@H+]1CC[C@@H]2C[NH+](CCC(F)(F)F)C[C@@H]2C1 ZINC000096081447 473292382 /nfs/dbraw/zinc/29/23/82/473292382.db2.gz BEVGCEVJIQLVLI-KGLIPLIRSA-N 2 2 331.382 2.998 40 0 EFABLP Cc1noc(C)c1C[NH+]1CC[C@@H]2C[N@H+](CCC(F)(F)F)C[C@@H]2C1 ZINC000096081447 473292394 /nfs/dbraw/zinc/29/23/94/473292394.db2.gz BEVGCEVJIQLVLI-KGLIPLIRSA-N 2 2 331.382 2.998 40 0 EFABLP Cc1noc(C)c1C[NH+]1CC[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]2C1 ZINC000096081447 473292400 /nfs/dbraw/zinc/29/24/00/473292400.db2.gz BEVGCEVJIQLVLI-KGLIPLIRSA-N 2 2 331.382 2.998 40 0 EFABLP COc1ccc(C[N@@H+]2CCc3c(C[NH+](C)C(C)C)nn(C)c3C2)cc1 ZINC000096084165 473293332 /nfs/dbraw/zinc/29/33/32/473293332.db2.gz IWCBNCLKVRPJMO-UHFFFAOYSA-N 2 2 342.487 2.827 40 0 EFABLP COc1ccc(C[N@H+]2CCc3c(C[NH+](C)C(C)C)nn(C)c3C2)cc1 ZINC000096084165 473293340 /nfs/dbraw/zinc/29/33/40/473293340.db2.gz IWCBNCLKVRPJMO-UHFFFAOYSA-N 2 2 342.487 2.827 40 0 EFABLP COc1ccc(C[NH+]2CCc3c(C[N@H+](C)C(C)C)nn(C)c3C2)cc1 ZINC000096084165 473293352 /nfs/dbraw/zinc/29/33/52/473293352.db2.gz IWCBNCLKVRPJMO-UHFFFAOYSA-N 2 2 342.487 2.827 40 0 EFABLP COc1ccc(C[NH+]2CCc3c(C[N@@H+](C)C(C)C)nn(C)c3C2)cc1 ZINC000096084165 473293360 /nfs/dbraw/zinc/29/33/60/473293360.db2.gz IWCBNCLKVRPJMO-UHFFFAOYSA-N 2 2 342.487 2.827 40 0 EFABLP Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[NH+](C4CCOCC4)C3)C2)cc1 ZINC000096202039 473337535 /nfs/dbraw/zinc/33/75/35/473337535.db2.gz AAFVJQUIAAJSBB-OAQYLSRUSA-N 2 2 344.499 2.698 40 0 EFABLP Cc1ccc(C[N@H+]2CCOC[C@]3(CC[NH+](C4CCOCC4)C3)C2)cc1 ZINC000096202039 473337541 /nfs/dbraw/zinc/33/75/41/473337541.db2.gz AAFVJQUIAAJSBB-OAQYLSRUSA-N 2 2 344.499 2.698 40 0 EFABLP Cc1ccc(C[NH+]2CCOC[C@]3(CC[N@@H+](C4CCOCC4)C3)C2)cc1 ZINC000096202039 473337543 /nfs/dbraw/zinc/33/75/43/473337543.db2.gz AAFVJQUIAAJSBB-OAQYLSRUSA-N 2 2 344.499 2.698 40 0 EFABLP Cc1ccc(C[NH+]2CCOC[C@]3(CC[N@H+](C4CCOCC4)C3)C2)cc1 ZINC000096202039 473337547 /nfs/dbraw/zinc/33/75/47/473337547.db2.gz AAFVJQUIAAJSBB-OAQYLSRUSA-N 2 2 344.499 2.698 40 0 EFABLP C[C@H]1C[N@H+](Cc2ccco2)C[C@@]12COCC[NH+](Cc1cccnc1)C2 ZINC000096202395 473338706 /nfs/dbraw/zinc/33/87/06/473338706.db2.gz RJOXHYJSRRIHPK-PXNSSMCTSA-N 2 2 341.455 2.645 40 0 EFABLP C[C@H]1C[N@@H+](Cc2ccco2)C[C@@]12COCC[NH+](Cc1cccnc1)C2 ZINC000096202395 473338715 /nfs/dbraw/zinc/33/87/15/473338715.db2.gz RJOXHYJSRRIHPK-PXNSSMCTSA-N 2 2 341.455 2.645 40 0 EFABLP C[C@H]1C[NH+](Cc2ccco2)C[C@@]12COCC[N@H+](Cc1cccnc1)C2 ZINC000096202395 473338724 /nfs/dbraw/zinc/33/87/24/473338724.db2.gz RJOXHYJSRRIHPK-PXNSSMCTSA-N 2 2 341.455 2.645 40 0 EFABLP C[C@H]1C[NH+](Cc2ccco2)C[C@@]12COCC[N@@H+](Cc1cccnc1)C2 ZINC000096202395 473338728 /nfs/dbraw/zinc/33/87/28/473338728.db2.gz RJOXHYJSRRIHPK-PXNSSMCTSA-N 2 2 341.455 2.645 40 0 EFABLP Fc1cccc(C[N@@H+]2CCOC[C@]3(CC[NH+](C4CCOCC4)C3)C2)c1 ZINC000096202061 473338851 /nfs/dbraw/zinc/33/88/51/473338851.db2.gz KODXQACMGQFYQC-HXUWFJFHSA-N 2 2 348.462 2.529 40 0 EFABLP Fc1cccc(C[N@H+]2CCOC[C@]3(CC[NH+](C4CCOCC4)C3)C2)c1 ZINC000096202061 473338854 /nfs/dbraw/zinc/33/88/54/473338854.db2.gz KODXQACMGQFYQC-HXUWFJFHSA-N 2 2 348.462 2.529 40 0 EFABLP Fc1cccc(C[NH+]2CCOC[C@]3(CC[N@@H+](C4CCOCC4)C3)C2)c1 ZINC000096202061 473338863 /nfs/dbraw/zinc/33/88/63/473338863.db2.gz KODXQACMGQFYQC-HXUWFJFHSA-N 2 2 348.462 2.529 40 0 EFABLP Fc1cccc(C[NH+]2CCOC[C@]3(CC[N@H+](C4CCOCC4)C3)C2)c1 ZINC000096202061 473338864 /nfs/dbraw/zinc/33/88/64/473338864.db2.gz KODXQACMGQFYQC-HXUWFJFHSA-N 2 2 348.462 2.529 40 0 EFABLP Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(Cc4[nH+]ccn4C)C3)C2)n1 ZINC000096216122 473347212 /nfs/dbraw/zinc/34/72/12/473347212.db2.gz FYZAWXOLIJJBER-HXUWFJFHSA-N 2 2 339.487 2.612 40 0 EFABLP Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4[nH+]ccn4C)C3)C2)n1 ZINC000096216122 473347223 /nfs/dbraw/zinc/34/72/23/473347223.db2.gz FYZAWXOLIJJBER-HXUWFJFHSA-N 2 2 339.487 2.612 40 0 EFABLP c1cc(C[N@H+]2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCOCC2)O3)cs1 ZINC000096215088 473348202 /nfs/dbraw/zinc/34/82/02/473348202.db2.gz WDASDZHUAOOVHN-ZWKOTPCHSA-N 2 2 336.501 2.594 40 0 EFABLP c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCOCC2)O3)cs1 ZINC000096215088 473348209 /nfs/dbraw/zinc/34/82/09/473348209.db2.gz WDASDZHUAOOVHN-ZWKOTPCHSA-N 2 2 336.501 2.594 40 0 EFABLP CNc1[nH+]cccc1CN1C[C@H](C[NH+]2CCOCC2)c2ccccc21 ZINC000012240990 471768812 /nfs/dbraw/zinc/76/88/12/471768812.db2.gz SBJWEEOKRLCNCE-KRWDZBQOSA-N 2 2 338.455 2.559 40 0 EFABLP [NH3+]CC[NH2+][C@@H](CC(=O)c1cc2ccccc2oc1=O)c1ccccc1 ZINC000019203785 471978811 /nfs/dbraw/zinc/97/88/11/471978811.db2.gz PEBHFAYCXONKTK-KRWDZBQOSA-N 2 2 336.391 2.655 40 0 EFABLP C[C@@H](C[NH+]1CCOCC1)n1c[nH+]cc1-c1ccc2c(c1)CCCN2C ZINC000019719944 471984598 /nfs/dbraw/zinc/98/45/98/471984598.db2.gz MQOJIJPCRNXALD-INIZCTEOSA-N 2 2 340.471 2.826 40 0 EFABLP CC1CC[NH+](Cc2ccc(C(=O)NCCCn3cc[nH+]c3)cc2)CC1 ZINC000038772836 472021439 /nfs/dbraw/zinc/02/14/39/472021439.db2.gz CMMJXBAZWUFESA-UHFFFAOYSA-N 2 2 340.471 2.935 40 0 EFABLP O=C(c1cccs1)N1CCC[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC000097103358 472446902 /nfs/dbraw/zinc/44/69/02/472446902.db2.gz XSZUCRCCNJVRON-UHFFFAOYSA-N 2 2 335.517 2.772 40 0 EFABLP O=C(c1cccs1)N1CCC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000097103358 472446905 /nfs/dbraw/zinc/44/69/05/472446905.db2.gz XSZUCRCCNJVRON-UHFFFAOYSA-N 2 2 335.517 2.772 40 0 EFABLP C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000060643919 472673374 /nfs/dbraw/zinc/67/33/74/472673374.db2.gz MFADYMDLENPFCY-QGZVFWFLSA-N 2 2 340.471 2.783 40 0 EFABLP C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000060643919 472673381 /nfs/dbraw/zinc/67/33/81/472673381.db2.gz MFADYMDLENPFCY-QGZVFWFLSA-N 2 2 340.471 2.783 40 0 EFABLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(Cl)c3F)C2)CC1 ZINC000093133315 473048761 /nfs/dbraw/zinc/04/87/61/473048761.db2.gz ZMDRICKJSUALLN-HNNXBMFYSA-N 2 2 325.859 2.691 40 0 EFABLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(Cl)c3F)C2)CC1 ZINC000093133315 473048768 /nfs/dbraw/zinc/04/87/68/473048768.db2.gz ZMDRICKJSUALLN-HNNXBMFYSA-N 2 2 325.859 2.691 40 0 EFABLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2cnccn2)C1 ZINC000195248720 474039722 /nfs/dbraw/zinc/03/97/22/474039722.db2.gz WBYZORUJUFCYPI-LSDHHAIUSA-N 2 2 331.489 2.756 40 0 EFABLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2cnccn2)C1 ZINC000195248720 474039728 /nfs/dbraw/zinc/03/97/28/474039728.db2.gz WBYZORUJUFCYPI-LSDHHAIUSA-N 2 2 331.489 2.756 40 0 EFABLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cnccn2)C1 ZINC000195248720 474039734 /nfs/dbraw/zinc/03/97/34/474039734.db2.gz WBYZORUJUFCYPI-LSDHHAIUSA-N 2 2 331.489 2.756 40 0 EFABLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cnccn2)C1 ZINC000195248720 474039741 /nfs/dbraw/zinc/03/97/41/474039741.db2.gz WBYZORUJUFCYPI-LSDHHAIUSA-N 2 2 331.489 2.756 40 0 EFABLP CN(C)c1ccc(Nc2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)cc1 ZINC000228919587 474249532 /nfs/dbraw/zinc/24/95/32/474249532.db2.gz JLCQAYDDSNHWAJ-UHFFFAOYSA-N 2 2 337.431 2.560 40 0 EFABLP Cc1noc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000253370842 474729464 /nfs/dbraw/zinc/72/94/64/474729464.db2.gz WYZVLHWUROFKSS-KZNAEPCWSA-N 2 2 326.444 2.768 40 0 EFABLP Cc1noc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000253370842 474729474 /nfs/dbraw/zinc/72/94/74/474729474.db2.gz WYZVLHWUROFKSS-KZNAEPCWSA-N 2 2 326.444 2.768 40 0 EFABLP Cn1cc(-c2c[nH+]c3n2C[C@@H]2C[N@@H+](Cc4ccccc4)C[C@H]2C3)cn1 ZINC000306144457 474811809 /nfs/dbraw/zinc/81/18/09/474811809.db2.gz ZFYUASLYBDVJTO-AEFFLSMTSA-N 2 2 333.439 2.588 40 0 EFABLP Cn1cc(-c2c[nH+]c3n2C[C@@H]2C[N@H+](Cc4ccccc4)C[C@H]2C3)cn1 ZINC000306144457 474811823 /nfs/dbraw/zinc/81/18/23/474811823.db2.gz ZFYUASLYBDVJTO-AEFFLSMTSA-N 2 2 333.439 2.588 40 0 EFABLP C[NH+](C)Cc1ccnc([C@H]2C[N@H+](CCCc3ccccc3)CCO2)n1 ZINC000257290611 474934215 /nfs/dbraw/zinc/93/42/15/474934215.db2.gz QDOUXXMDBWCICA-LJQANCHMSA-N 2 2 340.471 2.544 40 0 EFABLP C[NH+](C)Cc1ccnc([C@H]2C[N@@H+](CCCc3ccccc3)CCO2)n1 ZINC000257290611 474934222 /nfs/dbraw/zinc/93/42/22/474934222.db2.gz QDOUXXMDBWCICA-LJQANCHMSA-N 2 2 340.471 2.544 40 0 EFABLP Cc1[nH+]cc(-c2cncc(C3CC[NH+](C4CCOCC4)CC3)n2)n1C ZINC000257325126 474955015 /nfs/dbraw/zinc/95/50/15/474955015.db2.gz WRORAOWGHKEQFM-UHFFFAOYSA-N 2 2 341.459 2.544 40 0 EFABLP Nc1cc(CC[C@@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)CCO2)cc[nH+]1 ZINC000257325768 474955189 /nfs/dbraw/zinc/95/51/89/474955189.db2.gz WUIIKLITDAEHEU-GOSISDBHSA-N 2 2 336.439 2.979 40 0 EFABLP Nc1cc(CC[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)CCO2)cc[nH+]1 ZINC000257325768 474955193 /nfs/dbraw/zinc/95/51/93/474955193.db2.gz WUIIKLITDAEHEU-GOSISDBHSA-N 2 2 336.439 2.979 40 0 EFABLP Cc1nc(C[NH+]2CCC(Cc3cnc(C[NH+](C)C)cn3)CC2)cs1 ZINC000257336695 474962349 /nfs/dbraw/zinc/96/23/49/474962349.db2.gz YPPPENHGGMNHOJ-UHFFFAOYSA-N 2 2 345.516 2.758 40 0 EFABLP CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H]1c1cc[nH+]c(NC)c1 ZINC000257340206 474963104 /nfs/dbraw/zinc/96/31/04/474963104.db2.gz ZFAZRGVSYXBRMT-OAHLLOKOSA-N 2 2 327.432 2.636 40 0 EFABLP C[N@@H+](Cc1cccnc1)C[C@@H]1CCC2(C[NH+](Cc3ccco3)C2)OC1 ZINC000585104004 479284964 /nfs/dbraw/zinc/28/49/64/479284964.db2.gz FLWZAQWAUZUIFF-SFHVURJKSA-N 2 2 341.455 2.788 40 0 EFABLP C[N@H+](Cc1cccnc1)C[C@@H]1CCC2(C[NH+](Cc3ccco3)C2)OC1 ZINC000585104004 479284968 /nfs/dbraw/zinc/28/49/68/479284968.db2.gz FLWZAQWAUZUIFF-SFHVURJKSA-N 2 2 341.455 2.788 40 0 EFABLP Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CCCCn2cc[nH+]c2)[C@H]1O ZINC000585288531 479309430 /nfs/dbraw/zinc/30/94/30/479309430.db2.gz CZGZSWACMAKQGD-DFQSSKMNSA-N 2 2 343.471 2.922 40 0 EFABLP CC[NH+](CC)C[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2c[nH+]cn21 ZINC000248256264 535598927 /nfs/dbraw/zinc/59/89/27/535598927.db2.gz OHGBKNZZZSQYMS-KRWDZBQOSA-N 2 2 342.443 2.511 40 0 EFABLP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc2[nH+]ccn2c1 ZINC000068389717 215305544 /nfs/dbraw/zinc/30/55/44/215305544.db2.gz HVNZKUBJBZXPBG-SFHVURJKSA-N 2 2 348.450 2.629 40 0 EFABLP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2[nH+]ccn2c1 ZINC000068389717 215305547 /nfs/dbraw/zinc/30/55/47/215305547.db2.gz HVNZKUBJBZXPBG-SFHVURJKSA-N 2 2 348.450 2.629 40 0 EFABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072355440 216164767 /nfs/dbraw/zinc/16/47/67/216164767.db2.gz ITGLBLUYPJMDHA-KRWDZBQOSA-N 2 2 348.454 2.999 40 0 EFABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072355440 216164774 /nfs/dbraw/zinc/16/47/74/216164774.db2.gz ITGLBLUYPJMDHA-KRWDZBQOSA-N 2 2 348.454 2.999 40 0 EFABLP Cc1sc2c(C3CCN(C(=O)C[NH+](C)C)CC3)[nH+]c(C)n2c1C ZINC000072351262 216162078 /nfs/dbraw/zinc/16/20/78/216162078.db2.gz GOUZSWMYXOAVKM-UHFFFAOYSA-N 2 2 334.489 2.589 40 0 EFABLP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072355423 216164447 /nfs/dbraw/zinc/16/44/47/216164447.db2.gz DPSMOCSTKPTINE-INIZCTEOSA-N 2 2 334.427 2.745 40 0 EFABLP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072355423 216164450 /nfs/dbraw/zinc/16/44/50/216164450.db2.gz DPSMOCSTKPTINE-INIZCTEOSA-N 2 2 334.427 2.745 40 0 EFABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072378639 216181361 /nfs/dbraw/zinc/18/13/61/216181361.db2.gz QQGWBUMAKCIFGO-QGZVFWFLSA-N 2 2 334.427 2.957 40 0 EFABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072378639 216181365 /nfs/dbraw/zinc/18/13/65/216181365.db2.gz QQGWBUMAKCIFGO-QGZVFWFLSA-N 2 2 334.427 2.957 40 0 EFABLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000022038013 212272214 /nfs/dbraw/zinc/27/22/14/212272214.db2.gz FZYGLXLTKSKKPV-WSTZPKSXSA-N 2 2 332.488 2.515 40 0 EFABLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000022038013 212272217 /nfs/dbraw/zinc/27/22/17/212272217.db2.gz FZYGLXLTKSKKPV-WSTZPKSXSA-N 2 2 332.488 2.515 40 0 EFABLP CNc1ncccc1C[N@@H+]1CCC[C@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257224846 244199843 /nfs/dbraw/zinc/19/98/43/244199843.db2.gz FDQYFOXPILTQMB-KRWDZBQOSA-N 2 2 340.475 2.620 40 0 EFABLP CNc1ncccc1C[N@H+]1CCC[C@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257224846 244199850 /nfs/dbraw/zinc/19/98/50/244199850.db2.gz FDQYFOXPILTQMB-KRWDZBQOSA-N 2 2 340.475 2.620 40 0 EFABLP CNc1cc([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)cc[nH+]1 ZINC000257226093 244202296 /nfs/dbraw/zinc/20/22/96/244202296.db2.gz FJDIKAMWIUYVNC-INIZCTEOSA-N 2 2 327.432 2.506 40 0 EFABLP Cc1cn(C)c([C@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)[nH+]1 ZINC000257227252 244203334 /nfs/dbraw/zinc/20/33/34/244203334.db2.gz FOIJERFKPXTDRE-INIZCTEOSA-N 2 2 327.428 2.879 40 0 EFABLP Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)[nH+]1 ZINC000257227252 244203338 /nfs/dbraw/zinc/20/33/38/244203338.db2.gz FOIJERFKPXTDRE-INIZCTEOSA-N 2 2 327.428 2.879 40 0 EFABLP CCCn1ccnc1C[N@@H+]1CCC[C@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257233871 244222407 /nfs/dbraw/zinc/22/24/07/244222407.db2.gz GRDACPUBXIIKOA-KRWDZBQOSA-N 2 2 342.491 2.790 40 0 EFABLP CCCn1ccnc1C[N@H+]1CCC[C@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257233871 244222415 /nfs/dbraw/zinc/22/24/15/244222415.db2.gz GRDACPUBXIIKOA-KRWDZBQOSA-N 2 2 342.491 2.790 40 0 EFABLP CCCn1cc[nH+]c1CN1CCC[C@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257233871 244222421 /nfs/dbraw/zinc/22/24/21/244222421.db2.gz GRDACPUBXIIKOA-KRWDZBQOSA-N 2 2 342.491 2.790 40 0 EFABLP Cc1ccc(C[N@H+]2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)cn1 ZINC000257257571 244288828 /nfs/dbraw/zinc/28/88/28/244288828.db2.gz KQEWLRKCJYAFIK-GOSISDBHSA-N 2 2 325.460 2.887 40 0 EFABLP Cc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)cn1 ZINC000257257571 244288835 /nfs/dbraw/zinc/28/88/35/244288835.db2.gz KQEWLRKCJYAFIK-GOSISDBHSA-N 2 2 325.460 2.887 40 0 EFABLP CCCn1cc(C[N@@H+]2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)cn1 ZINC000257276819 244393907 /nfs/dbraw/zinc/39/39/07/244393907.db2.gz NVGHUUKVBNANBD-SFHVURJKSA-N 2 2 342.491 2.790 40 0 EFABLP CCCn1cc(C[N@H+]2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)cn1 ZINC000257276819 244393912 /nfs/dbraw/zinc/39/39/12/244393912.db2.gz NVGHUUKVBNANBD-SFHVURJKSA-N 2 2 342.491 2.790 40 0 EFABLP Cc1[nH+]cc(CN2CC[NH+](CC3(c4ccc(C)cc4)CC3)CC2)n1C ZINC000019208428 212004523 /nfs/dbraw/zinc/00/45/23/212004523.db2.gz XBWXYLGODKXNDC-UHFFFAOYSA-N 2 2 338.499 2.886 40 0 EFABLP Cn1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(-c2cccnc2)n1 ZINC000078612736 217087839 /nfs/dbraw/zinc/08/78/39/217087839.db2.gz LPKYZPPNTCGOSB-UHFFFAOYSA-N 2 2 344.422 2.958 40 0 EFABLP [NH3+]CC[N@@H+]1CCCC[C@H]1CN(C(=O)OCc1ccccc1)C1CC1 ZINC000079391031 217217289 /nfs/dbraw/zinc/21/72/89/217217289.db2.gz KVZGVYACXOUDAY-SFHVURJKSA-N 2 2 331.460 2.601 40 0 EFABLP [NH3+]CC[N@H+]1CCCC[C@H]1CN(C(=O)OCc1ccccc1)C1CC1 ZINC000079391031 217217291 /nfs/dbraw/zinc/21/72/91/217217291.db2.gz KVZGVYACXOUDAY-SFHVURJKSA-N 2 2 331.460 2.601 40 0 EFABLP C[N@@H+]1CCC[C@H]2C[NH+](CC3(C[NH+]4CCOCC4)CCCCC3)CC[C@@H]21 ZINC000092043355 218108734 /nfs/dbraw/zinc/10/87/34/218108734.db2.gz AZXCNRWFSJJBRE-PMACEKPBSA-N 3 2 349.563 2.685 40 0 EFABLP C[N@H+]1CCC[C@H]2C[NH+](CC3(C[NH+]4CCOCC4)CCCCC3)CC[C@@H]21 ZINC000092043355 218108737 /nfs/dbraw/zinc/10/87/37/218108737.db2.gz AZXCNRWFSJJBRE-PMACEKPBSA-N 3 2 349.563 2.685 40 0 EFABLP C[NH+]1CCC[C@H]2C[N@H+](CC3(C[NH+]4CCOCC4)CCCCC3)CC[C@@H]21 ZINC000092043355 218108741 /nfs/dbraw/zinc/10/87/41/218108741.db2.gz AZXCNRWFSJJBRE-PMACEKPBSA-N 3 2 349.563 2.685 40 0 EFABLP C[NH+]1CCC[C@H]2C[N@@H+](CC3(C[NH+]4CCOCC4)CCCCC3)CC[C@@H]21 ZINC000092043355 218108742 /nfs/dbraw/zinc/10/87/42/218108742.db2.gz AZXCNRWFSJJBRE-PMACEKPBSA-N 3 2 349.563 2.685 40 0 EFABLP C[C@](O)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000090909261 132822393 /nfs/dbraw/zinc/82/23/93/132822393.db2.gz OQVVAQYLBFITCR-IBGZPJMESA-N 2 2 329.419 2.687 40 0 EFABLP Cc1cc([C@@](C)(O)C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c(C)o1 ZINC000164178628 226052192 /nfs/dbraw/zinc/05/21/92/226052192.db2.gz RWNDGVRBAGNOEI-FQEVSTJZSA-N 2 2 343.471 2.753 40 0 EFABLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000097228257 323213704 /nfs/dbraw/zinc/21/37/04/323213704.db2.gz JRPUQTPPRBRAKD-UXPWSPDFSA-N 2 2 337.467 2.885 40 0 EFABLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000097228257 323213707 /nfs/dbraw/zinc/21/37/07/323213707.db2.gz JRPUQTPPRBRAKD-UXPWSPDFSA-N 2 2 337.467 2.885 40 0 EFABLP CCOC(=O)[C@@]12C[N@H+](Cc3ccoc3)C[C@@H]1C[NH+](CC1CC1)CCC2 ZINC000096056036 473281974 /nfs/dbraw/zinc/28/19/74/473281974.db2.gz PSXUXIPSFFFFHU-ICSRJNTNSA-N 2 2 346.471 2.767 40 0 EFABLP CCOC(=O)[C@@]12C[N@@H+](Cc3ccoc3)C[C@@H]1C[NH+](CC1CC1)CCC2 ZINC000096056036 473281981 /nfs/dbraw/zinc/28/19/81/473281981.db2.gz PSXUXIPSFFFFHU-ICSRJNTNSA-N 2 2 346.471 2.767 40 0 EFABLP CCOC(=O)[C@@]12C[NH+](Cc3ccoc3)C[C@@H]1C[N@H+](CC1CC1)CCC2 ZINC000096056036 473281987 /nfs/dbraw/zinc/28/19/87/473281987.db2.gz PSXUXIPSFFFFHU-ICSRJNTNSA-N 2 2 346.471 2.767 40 0 EFABLP CCOC(=O)[C@@]12C[NH+](Cc3ccoc3)C[C@@H]1C[N@@H+](CC1CC1)CCC2 ZINC000096056036 473281994 /nfs/dbraw/zinc/28/19/94/473281994.db2.gz PSXUXIPSFFFFHU-ICSRJNTNSA-N 2 2 346.471 2.767 40 0 EFABLP Fc1ccc(C[N@@H+]2CCOC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)cc1 ZINC000096062470 473285289 /nfs/dbraw/zinc/28/52/89/473285289.db2.gz MPQIKMFGBJFJGM-FQEVSTJZSA-N 2 2 341.430 2.950 40 0 EFABLP Fc1ccc(C[N@H+]2CCOC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)cc1 ZINC000096062470 473285301 /nfs/dbraw/zinc/28/53/01/473285301.db2.gz MPQIKMFGBJFJGM-FQEVSTJZSA-N 2 2 341.430 2.950 40 0 EFABLP C[N@@H+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[NH+](Cc3nccs3)C[C@@H]21 ZINC000096185514 473327567 /nfs/dbraw/zinc/32/75/67/473327567.db2.gz WIBIAJJQXWSPBY-BHYGNILZSA-N 2 2 347.484 2.705 40 0 EFABLP C[N@H+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[NH+](Cc3nccs3)C[C@@H]21 ZINC000096185514 473327571 /nfs/dbraw/zinc/32/75/71/473327571.db2.gz WIBIAJJQXWSPBY-BHYGNILZSA-N 2 2 347.484 2.705 40 0 EFABLP C[NH+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@H+](Cc3nccs3)C[C@@H]21 ZINC000096185514 473327578 /nfs/dbraw/zinc/32/75/78/473327578.db2.gz WIBIAJJQXWSPBY-BHYGNILZSA-N 2 2 347.484 2.705 40 0 EFABLP C[NH+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@@H+](Cc3nccs3)C[C@@H]21 ZINC000096185514 473327584 /nfs/dbraw/zinc/32/75/84/473327584.db2.gz WIBIAJJQXWSPBY-BHYGNILZSA-N 2 2 347.484 2.705 40 0 EFABLP c1csc(C[N@@H+]2CCOC[C@]3(CCN(c4cccc[nH+]4)C3)C2)c1 ZINC000096202238 473337181 /nfs/dbraw/zinc/33/71/81/473337181.db2.gz FTCDNDGOQIJNQI-GOSISDBHSA-N 2 2 329.469 2.872 40 0 EFABLP c1csc(C[N@H+]2CCOC[C@]3(CCN(c4cccc[nH+]4)C3)C2)c1 ZINC000096202238 473337186 /nfs/dbraw/zinc/33/71/86/473337186.db2.gz FTCDNDGOQIJNQI-GOSISDBHSA-N 2 2 329.469 2.872 40 0 EFABLP c1cc(C[N@@H+]2CCOC[C@]3(CCN(c4cccc[nH+]4)C3)C2)cs1 ZINC000096202240 473337781 /nfs/dbraw/zinc/33/77/81/473337781.db2.gz CFGUUHJPVMDXRR-GOSISDBHSA-N 2 2 329.469 2.872 40 0 EFABLP c1cc(C[N@H+]2CCOC[C@]3(CCN(c4cccc[nH+]4)C3)C2)cs1 ZINC000096202240 473337787 /nfs/dbraw/zinc/33/77/87/473337787.db2.gz CFGUUHJPVMDXRR-GOSISDBHSA-N 2 2 329.469 2.872 40 0 EFABLP c1[nH+]cn2c1C[N@H+](Cc1ccncc1)C[C@H](COCc1ccncc1)C2 ZINC000096207370 473343332 /nfs/dbraw/zinc/34/33/32/473343332.db2.gz POTRDGRONLCACX-IBGZPJMESA-N 2 2 349.438 2.522 40 0 EFABLP c1[nH+]cn2c1C[N@@H+](Cc1ccncc1)C[C@H](COCc1ccncc1)C2 ZINC000096207370 473343339 /nfs/dbraw/zinc/34/33/39/473343339.db2.gz POTRDGRONLCACX-IBGZPJMESA-N 2 2 349.438 2.522 40 0 EFABLP c1ccc(NCC[C@@]23CCO[C@@H]2CC[N@H+](Cc2cccnc2)C3)[nH+]c1 ZINC000096207530 473342393 /nfs/dbraw/zinc/34/23/93/473342393.db2.gz XGVBKIDXLFSYHG-QUCCMNQESA-N 2 2 338.455 2.960 40 0 EFABLP c1ccc(NCC[C@@]23CCO[C@@H]2CC[N@@H+](Cc2cccnc2)C3)[nH+]c1 ZINC000096207530 473342401 /nfs/dbraw/zinc/34/24/01/473342401.db2.gz XGVBKIDXLFSYHG-QUCCMNQESA-N 2 2 338.455 2.960 40 0 EFABLP c1csc(C[N@H+]2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCOCC2)O3)c1 ZINC000096209526 473345374 /nfs/dbraw/zinc/34/53/74/473345374.db2.gz AXDLWAAJHKDVQF-FUHWJXTLSA-N 2 2 336.501 2.594 40 0 EFABLP c1csc(C[N@@H+]2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCOCC2)O3)c1 ZINC000096209526 473345381 /nfs/dbraw/zinc/34/53/81/473345381.db2.gz AXDLWAAJHKDVQF-FUHWJXTLSA-N 2 2 336.501 2.594 40 0 EFABLP Cc1noc(C)c1C[N@@H+]1CC[C@]2(C[C@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096219039 473351229 /nfs/dbraw/zinc/35/12/29/473351229.db2.gz KNKFMFCBSKUHJW-YJBOKZPZSA-N 2 2 328.416 2.532 40 0 EFABLP Cc1noc(C)c1C[N@H+]1CC[C@]2(C[C@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096219039 473351238 /nfs/dbraw/zinc/35/12/38/473351238.db2.gz KNKFMFCBSKUHJW-YJBOKZPZSA-N 2 2 328.416 2.532 40 0 EFABLP Cc1ccc(C[N@@H+]2CCc3c(C[NH+]4CCCC4)nn(C)c3C2)s1 ZINC000096255901 473366246 /nfs/dbraw/zinc/36/62/46/473366246.db2.gz PKJXVUUFYSWYHL-UHFFFAOYSA-N 2 2 330.501 2.944 40 0 EFABLP Cc1ccc(C[N@H+]2CCc3c(C[NH+]4CCCC4)nn(C)c3C2)s1 ZINC000096255901 473366252 /nfs/dbraw/zinc/36/62/52/473366252.db2.gz PKJXVUUFYSWYHL-UHFFFAOYSA-N 2 2 330.501 2.944 40 0 EFABLP C[C@H](O)C[NH2+]CC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000022075060 472009845 /nfs/dbraw/zinc/00/98/45/472009845.db2.gz VBCQRLHVCCOGJE-HNNXBMFYSA-N 2 2 348.874 2.979 40 0 EFABLP C[C@@H](O)C[NH2+]CC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000022075479 472010228 /nfs/dbraw/zinc/01/02/28/472010228.db2.gz PUNBLGOYAQNGEQ-OAHLLOKOSA-N 2 2 348.874 2.979 40 0 EFABLP C[C@@H](O)C[NH2+]CC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000022075452 472010348 /nfs/dbraw/zinc/01/03/48/472010348.db2.gz YUFOQNSEIZGYIY-OAHLLOKOSA-N 2 2 348.874 2.979 40 0 EFABLP O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000025180576 472083771 /nfs/dbraw/zinc/08/37/71/472083771.db2.gz DPQFHEDULWAYHU-UHFFFAOYSA-N 2 2 344.378 2.764 40 0 EFABLP C1CC2CCC1C[NH+]([C@@H]1CO[C@H]([NH+]3CC4CCC(CC4)C3)CO1)C2 ZINC000031688086 472388766 /nfs/dbraw/zinc/38/87/66/472388766.db2.gz KMYPMHHZMQKXPU-RZXUBOOQSA-N 2 2 334.504 2.929 40 0 EFABLP COC1(C[NH2+][C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000097095365 472443152 /nfs/dbraw/zinc/44/31/52/472443152.db2.gz OUJPJRPDTADOFI-PKOBYXMFSA-N 2 2 332.488 2.682 40 0 EFABLP COC1(C[NH2+][C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000097095365 472443159 /nfs/dbraw/zinc/44/31/59/472443159.db2.gz OUJPJRPDTADOFI-PKOBYXMFSA-N 2 2 332.488 2.682 40 0 EFABLP CN(C)c1ncc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCCC2)cn1 ZINC000057823258 472478869 /nfs/dbraw/zinc/47/88/69/472478869.db2.gz ZRBZSAHFBHBGEV-GOSISDBHSA-N 2 2 331.508 2.773 40 0 EFABLP CN(C)c1ncc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCCC2)cn1 ZINC000057823258 472478874 /nfs/dbraw/zinc/47/88/74/472478874.db2.gz ZRBZSAHFBHBGEV-GOSISDBHSA-N 2 2 331.508 2.773 40 0 EFABLP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000155499024 472558488 /nfs/dbraw/zinc/55/84/88/472558488.db2.gz YXHFAUNOLWEAIU-SFHVURJKSA-N 2 2 338.455 2.542 40 0 EFABLP Cc1nc2n(n1)CCC[C@@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000090227106 472609902 /nfs/dbraw/zinc/60/99/02/472609902.db2.gz SZPDFBOGNILWTR-IBGZPJMESA-N 2 2 339.487 2.718 40 0 EFABLP Cc1nc2n(n1)CCC[C@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000090227108 472610164 /nfs/dbraw/zinc/61/01/64/472610164.db2.gz SZPDFBOGNILWTR-LJQANCHMSA-N 2 2 339.487 2.718 40 0 EFABLP Cc1noc(C)c1C[N@@H+]1CC[C@@]2(C[C@@H](Nc3cccc[nH+]3)CO2)C1 ZINC000107226087 472935228 /nfs/dbraw/zinc/93/52/28/472935228.db2.gz KNKFMFCBSKUHJW-CRAIPNDOSA-N 2 2 328.416 2.532 40 0 EFABLP Cc1noc(C)c1C[N@H+]1CC[C@@]2(C[C@@H](Nc3cccc[nH+]3)CO2)C1 ZINC000107226087 472935234 /nfs/dbraw/zinc/93/52/34/472935234.db2.gz KNKFMFCBSKUHJW-CRAIPNDOSA-N 2 2 328.416 2.532 40 0 EFABLP Cc1ccc(F)cc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000096425912 473405005 /nfs/dbraw/zinc/40/50/05/473405005.db2.gz FYFSBMAJBMXECN-UHFFFAOYSA-N 2 2 347.478 2.814 40 0 EFABLP C[N@@H+]1CCC[C@H](C[NH2+][C@H](C(N)=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000096437165 473416487 /nfs/dbraw/zinc/41/64/87/473416487.db2.gz MUAFWYMDBAZTJO-BPQIPLTHSA-N 2 2 343.496 2.947 40 0 EFABLP C[N@H+]1CCC[C@H](C[NH2+][C@H](C(N)=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000096437165 473416491 /nfs/dbraw/zinc/41/64/91/473416491.db2.gz MUAFWYMDBAZTJO-BPQIPLTHSA-N 2 2 343.496 2.947 40 0 EFABLP Cc1c[nH+]ccc1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000096436401 473416697 /nfs/dbraw/zinc/41/66/97/473416697.db2.gz WMPQFFRRONHZAS-KRWDZBQOSA-N 2 2 325.412 2.620 40 0 EFABLP Cc1c[nH+]ccc1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000096436401 473416703 /nfs/dbraw/zinc/41/67/03/473416703.db2.gz WMPQFFRRONHZAS-KRWDZBQOSA-N 2 2 325.412 2.620 40 0 EFABLP Cc1[nH+]cc(C[NH2+][C@H]2CCN(c3ccccn3)C2)n1-c1ccccc1 ZINC000096494401 473450952 /nfs/dbraw/zinc/45/09/52/473450952.db2.gz UIPJHGBMMDPZDZ-KRWDZBQOSA-N 2 2 333.439 2.944 40 0 EFABLP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000096500609 473452675 /nfs/dbraw/zinc/45/26/75/473452675.db2.gz XCRNYSIYSXLKGC-HXUWFJFHSA-N 2 2 339.483 2.698 40 0 EFABLP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000096500609 473452679 /nfs/dbraw/zinc/45/26/79/473452679.db2.gz XCRNYSIYSXLKGC-HXUWFJFHSA-N 2 2 339.483 2.698 40 0 EFABLP C[C@@H](C[NH2+][C@@H](c1ccco1)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000195560640 474095658 /nfs/dbraw/zinc/09/56/58/474095658.db2.gz RMYYPJFWWXNHMZ-HNAYVOBHSA-N 2 2 331.435 2.734 40 0 EFABLP C[C@H](C[NH2+][C@@H](c1ccco1)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000195560642 474096233 /nfs/dbraw/zinc/09/62/33/474096233.db2.gz RMYYPJFWWXNHMZ-DNVCBOLYSA-N 2 2 331.435 2.734 40 0 EFABLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)C[C@@H](O)C(F)(F)F ZINC000195564298 474096986 /nfs/dbraw/zinc/09/69/86/474096986.db2.gz KSMAZCXJJDTNFJ-VNQPRFMTSA-N 2 2 330.394 2.752 40 0 EFABLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)C[C@@H](O)C(F)(F)F ZINC000195564298 474096994 /nfs/dbraw/zinc/09/69/94/474096994.db2.gz KSMAZCXJJDTNFJ-VNQPRFMTSA-N 2 2 330.394 2.752 40 0 EFABLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000195564298 474097003 /nfs/dbraw/zinc/09/70/03/474097003.db2.gz KSMAZCXJJDTNFJ-VNQPRFMTSA-N 2 2 330.394 2.752 40 0 EFABLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000195564298 474097008 /nfs/dbraw/zinc/09/70/08/474097008.db2.gz KSMAZCXJJDTNFJ-VNQPRFMTSA-N 2 2 330.394 2.752 40 0 EFABLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000248916725 474484091 /nfs/dbraw/zinc/48/40/91/474484091.db2.gz ZZLFYXWBAQBSSA-RTBURBONSA-N 2 2 327.428 2.561 40 0 EFABLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000248916725 474484096 /nfs/dbraw/zinc/48/40/96/474484096.db2.gz ZZLFYXWBAQBSSA-RTBURBONSA-N 2 2 327.428 2.561 40 0 EFABLP c1ccc(N2CC[NH+](C3CC[NH+]([C@H]4CCSC4)CC3)CC2)cc1 ZINC000252478253 474663626 /nfs/dbraw/zinc/66/36/26/474663626.db2.gz AGXHJEKWVUYJCH-IBGZPJMESA-N 2 2 331.529 2.779 40 0 EFABLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000253369907 474727881 /nfs/dbraw/zinc/72/78/81/474727881.db2.gz JRPUQTPPRBRAKD-AHRSYUTCSA-N 2 2 337.467 2.885 40 0 EFABLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000253369907 474727891 /nfs/dbraw/zinc/72/78/91/474727891.db2.gz JRPUQTPPRBRAKD-AHRSYUTCSA-N 2 2 337.467 2.885 40 0 EFABLP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+](C4CCC4)CCN3C(C)(C)C2)cc1 ZINC000253405471 474739242 /nfs/dbraw/zinc/73/92/42/474739242.db2.gz SMIZYCLXLKADIW-LJQANCHMSA-N 2 2 343.515 2.828 40 0 biogenic,in-vitro EFABLP COc1ccc(C[N@H+]2C[C@@H]3C[NH+](C4CCC4)CCN3C(C)(C)C2)cc1 ZINC000253405471 474739246 /nfs/dbraw/zinc/73/92/46/474739246.db2.gz SMIZYCLXLKADIW-LJQANCHMSA-N 2 2 343.515 2.828 40 0 biogenic,in-vitro EFABLP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+](C4CCC4)CCN3C(C)(C)C2)cc1 ZINC000253405471 474739253 /nfs/dbraw/zinc/73/92/53/474739253.db2.gz SMIZYCLXLKADIW-LJQANCHMSA-N 2 2 343.515 2.828 40 0 biogenic,in-vitro EFABLP COc1ccc(C[NH+]2C[C@@H]3C[N@H+](C4CCC4)CCN3C(C)(C)C2)cc1 ZINC000253405471 474739257 /nfs/dbraw/zinc/73/92/57/474739257.db2.gz SMIZYCLXLKADIW-LJQANCHMSA-N 2 2 343.515 2.828 40 0 biogenic,in-vitro EFABLP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+](C(C)C)CCN3C(C)(C)C2)cc1 ZINC000253402871 474739315 /nfs/dbraw/zinc/73/93/15/474739315.db2.gz OZCSJGBECAOXTM-GOSISDBHSA-N 2 2 331.504 2.684 40 0 biogenic,in-vitro EFABLP COc1ccc(C[N@H+]2C[C@@H]3C[NH+](C(C)C)CCN3C(C)(C)C2)cc1 ZINC000253402871 474739320 /nfs/dbraw/zinc/73/93/20/474739320.db2.gz OZCSJGBECAOXTM-GOSISDBHSA-N 2 2 331.504 2.684 40 0 biogenic,in-vitro EFABLP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+](C(C)C)CCN3C(C)(C)C2)cc1 ZINC000253402871 474739327 /nfs/dbraw/zinc/73/93/27/474739327.db2.gz OZCSJGBECAOXTM-GOSISDBHSA-N 2 2 331.504 2.684 40 0 biogenic,in-vitro EFABLP COc1ccc(C[NH+]2C[C@@H]3C[N@H+](C(C)C)CCN3C(C)(C)C2)cc1 ZINC000253402871 474739333 /nfs/dbraw/zinc/73/93/33/474739333.db2.gz OZCSJGBECAOXTM-GOSISDBHSA-N 2 2 331.504 2.684 40 0 biogenic,in-vitro EFABLP Cc1ccccc1C[N@@H+](C)[C@H]1[C@H]([NH3+])CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257281770 474930692 /nfs/dbraw/zinc/93/06/92/474930692.db2.gz OQXWLVGJRINCFD-CGXNFDGLSA-N 2 2 340.467 2.725 40 0 EFABLP Cc1ccccc1C[N@H+](C)[C@H]1[C@H]([NH3+])CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257281770 474930703 /nfs/dbraw/zinc/93/07/03/474930703.db2.gz OQXWLVGJRINCFD-CGXNFDGLSA-N 2 2 340.467 2.725 40 0 EFABLP Cc1ccc(C[N@@H+]2CCO[C@@H](CCc3cc[nH+]c(N(C)C)c3)C2)cn1 ZINC000257295267 474937905 /nfs/dbraw/zinc/93/79/05/474937905.db2.gz QXQNBXSPRWIGPB-IBGZPJMESA-N 2 2 340.471 2.685 40 0 EFABLP Cc1ccc(C[N@H+]2CCO[C@@H](CCc3cc[nH+]c(N(C)C)c3)C2)cn1 ZINC000257295267 474937909 /nfs/dbraw/zinc/93/79/09/474937909.db2.gz QXQNBXSPRWIGPB-IBGZPJMESA-N 2 2 340.471 2.685 40 0 EFABLP Cc1cc(N(C)C2CC3(C2)CC[N@H+](Cc2nccs2)C3)nc[nH+]1 ZINC000257298985 474940693 /nfs/dbraw/zinc/94/06/93/474940693.db2.gz ROEQZRBXQIRIHO-UHFFFAOYSA-N 2 2 329.473 2.732 40 0 EFABLP Cc1cc(N(C)C2CC3(C2)CC[N@@H+](Cc2nccs2)C3)nc[nH+]1 ZINC000257298985 474940702 /nfs/dbraw/zinc/94/07/02/474940702.db2.gz ROEQZRBXQIRIHO-UHFFFAOYSA-N 2 2 329.473 2.732 40 0 EFABLP C[N@H+](Cc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccccc2Cl)[C@@H]1O ZINC000257307098 474945135 /nfs/dbraw/zinc/94/51/35/474945135.db2.gz SXEWGPWGECXLOH-YSHGAJCASA-N 2 2 346.858 2.680 40 0 EFABLP C[N@@H+](Cc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccccc2Cl)[C@@H]1O ZINC000257307098 474945139 /nfs/dbraw/zinc/94/51/39/474945139.db2.gz SXEWGPWGECXLOH-YSHGAJCASA-N 2 2 346.858 2.680 40 0 EFABLP CCc1[nH+]ccn1CCC(=O)N1CCC[C@H]1c1cc[nH+]c(NC)c1 ZINC000257340205 474964204 /nfs/dbraw/zinc/96/42/04/474964204.db2.gz ZFAZRGVSYXBRMT-HNNXBMFYSA-N 2 2 327.432 2.636 40 0 EFABLP CCc1[nH]c(C[N@@H+]2CCC[C@H](O)[C@@H]2Cc2ccccc2F)c(C)[nH+]1 ZINC000585275753 479304897 /nfs/dbraw/zinc/30/48/97/479304897.db2.gz DXKUDWOAXFUWIK-ROUUACIJSA-N 2 2 331.435 2.988 40 0 EFABLP CCc1[nH]c(C[N@H+]2CCC[C@H](O)[C@@H]2Cc2ccccc2F)c(C)[nH+]1 ZINC000585275753 479304904 /nfs/dbraw/zinc/30/49/04/479304904.db2.gz DXKUDWOAXFUWIK-ROUUACIJSA-N 2 2 331.435 2.988 40 0 EFABLP C[C@H](O)C[NH2+]CC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000022075481 534088140 /nfs/dbraw/zinc/08/81/40/534088140.db2.gz PUNBLGOYAQNGEQ-HNNXBMFYSA-N 2 2 348.874 2.979 40 0 EFABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072378624 216181847 /nfs/dbraw/zinc/18/18/47/216181847.db2.gz DGHXDWGMQROOIN-KRWDZBQOSA-N 2 2 334.427 2.957 40 0 EFABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072378624 216181848 /nfs/dbraw/zinc/18/18/48/216181848.db2.gz DGHXDWGMQROOIN-KRWDZBQOSA-N 2 2 334.427 2.957 40 0 EFABLP OCC[NH2+]CC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000023468462 212378479 /nfs/dbraw/zinc/37/84/79/212378479.db2.gz UAGHQIZUQSKVEJ-UHFFFAOYSA-N 2 2 334.847 2.591 40 0 EFABLP OCC[NH2+]CC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000023468444 212378119 /nfs/dbraw/zinc/37/81/19/212378119.db2.gz MUPJGZJHMNCEJX-UHFFFAOYSA-N 2 2 334.847 2.591 40 0 EFABLP Cc1cc(N)cc([C@H]2C[N@H+](CCCOc3ccccc3F)CCO2)[nH+]1 ZINC000257214091 244159308 /nfs/dbraw/zinc/15/93/08/244159308.db2.gz CKMKXWSVNZAQFN-LJQANCHMSA-N 2 2 345.418 2.954 40 0 EFABLP Cc1cc(N)cc([C@H]2C[N@@H+](CCCOc3ccccc3F)CCO2)[nH+]1 ZINC000257214091 244159318 /nfs/dbraw/zinc/15/93/18/244159318.db2.gz CKMKXWSVNZAQFN-LJQANCHMSA-N 2 2 345.418 2.954 40 0 EFABLP Cc1cc(N)cc([C@@H]2C[N@H+](CCCOc3ccccc3F)CCO2)[nH+]1 ZINC000257214090 244161251 /nfs/dbraw/zinc/16/12/51/244161251.db2.gz CKMKXWSVNZAQFN-IBGZPJMESA-N 2 2 345.418 2.954 40 0 EFABLP Cc1cc(N)cc([C@@H]2C[N@@H+](CCCOc3ccccc3F)CCO2)[nH+]1 ZINC000257214090 244161258 /nfs/dbraw/zinc/16/12/58/244161258.db2.gz CKMKXWSVNZAQFN-IBGZPJMESA-N 2 2 345.418 2.954 40 0 EFABLP Cc1nc(C[N@H+]2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)cs1 ZINC000257249618 244266876 /nfs/dbraw/zinc/26/68/76/244266876.db2.gz JJCGFSWWKMHCLW-INIZCTEOSA-N 2 2 331.489 2.949 40 0 EFABLP Cc1nc(C[N@@H+]2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)cs1 ZINC000257249618 244266881 /nfs/dbraw/zinc/26/68/81/244266881.db2.gz JJCGFSWWKMHCLW-INIZCTEOSA-N 2 2 331.489 2.949 40 0 EFABLP Cn1c[nH+]c(CN2CC[N@H+](C)C[C@H](Cc3cccc4cccnc43)C2)c1 ZINC000257270387 244376506 /nfs/dbraw/zinc/37/65/06/244376506.db2.gz MUAOLEFBTZBCGG-KRWDZBQOSA-N 2 2 349.482 2.575 40 0 EFABLP Cn1c[nH+]c(CN2CC[N@@H+](C)C[C@H](Cc3cccc4cccnc43)C2)c1 ZINC000257270387 244376512 /nfs/dbraw/zinc/37/65/12/244376512.db2.gz MUAOLEFBTZBCGG-KRWDZBQOSA-N 2 2 349.482 2.575 40 0 EFABLP COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccnc(-n3cc[nH+]c3)c1)CC2 ZINC000095435740 218378135 /nfs/dbraw/zinc/37/81/35/218378135.db2.gz WNXFHCICRMQOFD-GOSISDBHSA-N 2 2 334.423 2.923 40 0 EFABLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000097375024 219018097 /nfs/dbraw/zinc/01/80/97/219018097.db2.gz KOOADZUSHYLTKD-QZTJIDSGSA-N 2 2 347.484 2.566 40 0 EFABLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000097375023 219018402 /nfs/dbraw/zinc/01/84/02/219018402.db2.gz KOOADZUSHYLTKD-ROUUACIJSA-N 2 2 347.484 2.566 40 0 EFABLP c1coc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccnc2)CCO3)c1 ZINC000096048929 473271486 /nfs/dbraw/zinc/27/14/86/473271486.db2.gz AJJYCZSRZFOBNS-UHFFFAOYSA-N 2 2 327.428 2.542 40 0 EFABLP c1coc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccnc2)CCO3)c1 ZINC000096048929 473271492 /nfs/dbraw/zinc/27/14/92/473271492.db2.gz AJJYCZSRZFOBNS-UHFFFAOYSA-N 2 2 327.428 2.542 40 0 EFABLP CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1C[NH+](Cc1ccccn1)CCC2 ZINC000096055908 473277863 /nfs/dbraw/zinc/27/78/63/473277863.db2.gz OCPRLCBKUUVAJE-PXNSSMCTSA-N 2 2 345.487 2.567 40 0 EFABLP CCOC(=O)[C@@]12C[N@H+](C(C)C)C[C@@H]1C[NH+](Cc1ccccn1)CCC2 ZINC000096055908 473277868 /nfs/dbraw/zinc/27/78/68/473277868.db2.gz OCPRLCBKUUVAJE-PXNSSMCTSA-N 2 2 345.487 2.567 40 0 EFABLP CCOC(=O)[C@@]12C[NH+](C(C)C)C[C@@H]1C[N@H+](Cc1ccccn1)CCC2 ZINC000096055908 473277874 /nfs/dbraw/zinc/27/78/74/473277874.db2.gz OCPRLCBKUUVAJE-PXNSSMCTSA-N 2 2 345.487 2.567 40 0 EFABLP CCOC(=O)[C@@]12C[NH+](C(C)C)C[C@@H]1C[N@@H+](Cc1ccccn1)CCC2 ZINC000096055908 473277878 /nfs/dbraw/zinc/27/78/78/473277878.db2.gz OCPRLCBKUUVAJE-PXNSSMCTSA-N 2 2 345.487 2.567 40 0 EFABLP CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1C[NH+](Cc1ccoc1)CCC2 ZINC000096055900 473279277 /nfs/dbraw/zinc/27/92/77/473279277.db2.gz FOXSLWBHUFNJGD-HKUYNNGSSA-N 2 2 334.460 2.765 40 0 EFABLP CCOC(=O)[C@@]12C[N@H+](C(C)C)C[C@@H]1C[NH+](Cc1ccoc1)CCC2 ZINC000096055900 473279285 /nfs/dbraw/zinc/27/92/85/473279285.db2.gz FOXSLWBHUFNJGD-HKUYNNGSSA-N 2 2 334.460 2.765 40 0 EFABLP CCOC(=O)[C@@]12C[NH+](C(C)C)C[C@@H]1C[N@H+](Cc1ccoc1)CCC2 ZINC000096055900 473279291 /nfs/dbraw/zinc/27/92/91/473279291.db2.gz FOXSLWBHUFNJGD-HKUYNNGSSA-N 2 2 334.460 2.765 40 0 EFABLP CCOC(=O)[C@@]12C[NH+](C(C)C)C[C@@H]1C[N@@H+](Cc1ccoc1)CCC2 ZINC000096055900 473279297 /nfs/dbraw/zinc/27/92/97/473279297.db2.gz FOXSLWBHUFNJGD-HKUYNNGSSA-N 2 2 334.460 2.765 40 0 EFABLP Fc1ccc(C[N@@H+]2CCOC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)cc1 ZINC000096202042 473337588 /nfs/dbraw/zinc/33/75/88/473337588.db2.gz IKOZMKMLIKDVEA-FQEVSTJZSA-N 2 2 348.462 2.529 40 0 EFABLP Fc1ccc(C[N@H+]2CCOC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)cc1 ZINC000096202042 473337591 /nfs/dbraw/zinc/33/75/91/473337591.db2.gz IKOZMKMLIKDVEA-FQEVSTJZSA-N 2 2 348.462 2.529 40 0 EFABLP Fc1ccc(C[NH+]2CCOC[C@@]3(CC[N@@H+](C4CCOCC4)C3)C2)cc1 ZINC000096202042 473337596 /nfs/dbraw/zinc/33/75/96/473337596.db2.gz IKOZMKMLIKDVEA-FQEVSTJZSA-N 2 2 348.462 2.529 40 0 EFABLP Fc1ccc(C[NH+]2CCOC[C@@]3(CC[N@H+](C4CCOCC4)C3)C2)cc1 ZINC000096202042 473337603 /nfs/dbraw/zinc/33/76/03/473337603.db2.gz IKOZMKMLIKDVEA-FQEVSTJZSA-N 2 2 348.462 2.529 40 0 EFABLP c1csc(C[NH+]2CCOC[C@@]3(CC[N@@H+](Cc4cccnc4)C3)C2)c1 ZINC000096202097 473338645 /nfs/dbraw/zinc/33/86/45/473338645.db2.gz BVFSPEOCGOHPNL-LJQANCHMSA-N 2 2 343.496 2.868 40 0 EFABLP c1csc(C[NH+]2CCOC[C@@]3(CC[N@H+](Cc4cccnc4)C3)C2)c1 ZINC000096202097 473338652 /nfs/dbraw/zinc/33/86/52/473338652.db2.gz BVFSPEOCGOHPNL-LJQANCHMSA-N 2 2 343.496 2.868 40 0 EFABLP c1csc(C[N@H+]2CCOC[C@@]3(CC[NH+](Cc4cccnc4)C3)C2)c1 ZINC000096202097 473338660 /nfs/dbraw/zinc/33/86/60/473338660.db2.gz BVFSPEOCGOHPNL-LJQANCHMSA-N 2 2 343.496 2.868 40 0 EFABLP c1csc(C[N@@H+]2CCOC[C@@]3(CC[NH+](Cc4cccnc4)C3)C2)c1 ZINC000096202097 473338669 /nfs/dbraw/zinc/33/86/69/473338669.db2.gz BVFSPEOCGOHPNL-LJQANCHMSA-N 2 2 343.496 2.868 40 0 EFABLP C[N@@H+]1C[C@H](COCc2cccnc2)[C@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000096218495 473351973 /nfs/dbraw/zinc/35/19/73/473351973.db2.gz QNISCQVOBQJBPT-UYAOXDASSA-N 2 2 341.455 2.645 40 0 EFABLP C[N@H+]1C[C@H](COCc2cccnc2)[C@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000096218495 473351979 /nfs/dbraw/zinc/35/19/79/473351979.db2.gz QNISCQVOBQJBPT-UYAOXDASSA-N 2 2 341.455 2.645 40 0 EFABLP C[NH+]1C[C@H](COCc2cccnc2)[C@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096218495 473351986 /nfs/dbraw/zinc/35/19/86/473351986.db2.gz QNISCQVOBQJBPT-UYAOXDASSA-N 2 2 341.455 2.645 40 0 EFABLP C[NH+]1C[C@H](COCc2cccnc2)[C@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096218495 473351991 /nfs/dbraw/zinc/35/19/91/473351991.db2.gz QNISCQVOBQJBPT-UYAOXDASSA-N 2 2 341.455 2.645 40 0 EFABLP C[C@H](O)C[NH2+]CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000022075050 472009969 /nfs/dbraw/zinc/00/99/69/472009969.db2.gz JUGCGDQKPYLCRH-HNNXBMFYSA-N 2 2 348.874 2.979 40 0 EFABLP COC1(C[NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000097095362 472444017 /nfs/dbraw/zinc/44/40/17/472444017.db2.gz OUJPJRPDTADOFI-MJGOQNOKSA-N 2 2 332.488 2.682 40 0 EFABLP COC1(C[NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000097095362 472444021 /nfs/dbraw/zinc/44/40/21/472444021.db2.gz OUJPJRPDTADOFI-MJGOQNOKSA-N 2 2 332.488 2.682 40 0 EFABLP COc1ccc(CCNC(=[NH2+])NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000057752152 472471032 /nfs/dbraw/zinc/47/10/32/472471032.db2.gz UNOPHEOWEALQFW-INIZCTEOSA-N 2 2 346.500 2.716 40 0 EFABLP C([NH2+]C1CCC2(CC1)OCCO2)C1([NH+]2CCSCC2)CCCC1 ZINC000155114950 472509348 /nfs/dbraw/zinc/50/93/48/472509348.db2.gz UWIVWHQBMQCNCP-UHFFFAOYSA-N 2 2 340.533 2.623 40 0 EFABLP Cc1cccn2cc(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)nc12 ZINC000090045271 472584782 /nfs/dbraw/zinc/58/47/82/472584782.db2.gz FVMYTGOVZMEOEK-UHFFFAOYSA-N 2 2 335.455 2.792 40 0 EFABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072355621 472662531 /nfs/dbraw/zinc/66/25/31/472662531.db2.gz VBBVEEKXZQIWBY-MRXNPFEDSA-N 2 2 327.432 2.541 40 0 EFABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072355621 472662538 /nfs/dbraw/zinc/66/25/38/472662538.db2.gz VBBVEEKXZQIWBY-MRXNPFEDSA-N 2 2 327.432 2.541 40 0 EFABLP COC(=O)c1oc([C@@H](C)[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000091595309 472780845 /nfs/dbraw/zinc/78/08/45/472780845.db2.gz GXESMGQYKJWSJG-HIFRSBDPSA-N 2 2 330.384 2.984 40 0 EFABLP COC(=O)c1oc([C@@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000091595309 472780851 /nfs/dbraw/zinc/78/08/51/472780851.db2.gz GXESMGQYKJWSJG-HIFRSBDPSA-N 2 2 330.384 2.984 40 0 EFABLP Cc1cc(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000096435935 473415118 /nfs/dbraw/zinc/41/51/18/473415118.db2.gz ZPFSZPLSFBSUMB-SFHVURJKSA-N 2 2 325.412 2.620 40 0 EFABLP Cc1cc(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000096435935 473415122 /nfs/dbraw/zinc/41/51/22/473415122.db2.gz ZPFSZPLSFBSUMB-SFHVURJKSA-N 2 2 325.412 2.620 40 0 EFABLP Brc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)o1 ZINC000191124031 473484830 /nfs/dbraw/zinc/48/48/30/473484830.db2.gz NYVCFNLKOCGQAB-LBPRGKRZSA-N 2 2 343.265 2.633 40 0 EFABLP c1c[nH+]c([C@@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)c2cccnc2)[nH]1 ZINC000195048990 473998312 /nfs/dbraw/zinc/99/83/12/473998312.db2.gz WTTFEDYHWBMBPK-ROUUACIJSA-N 2 2 325.460 2.748 40 0 EFABLP c1c[nH+]c([C@@H](N[C@H]2CC[N@H+](CC3CCCC3)C2)c2cccnc2)[nH]1 ZINC000195048990 473998321 /nfs/dbraw/zinc/99/83/21/473998321.db2.gz WTTFEDYHWBMBPK-ROUUACIJSA-N 2 2 325.460 2.748 40 0 EFABLP C[C@H](C[NH2+][C@H](c1ccco1)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000195560645 474096371 /nfs/dbraw/zinc/09/63/71/474096371.db2.gz RMYYPJFWWXNHMZ-BEFAXECRSA-N 2 2 331.435 2.734 40 0 EFABLP C[C@@H](C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1)c1cccc(Cl)c1 ZINC000195573288 474098244 /nfs/dbraw/zinc/09/82/44/474098244.db2.gz FBMVFUQOZFDTMM-AWEZNQCLSA-N 2 2 337.895 2.586 40 0 EFABLP C[C@H](c1nnnn1C)[N@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000225545263 474224240 /nfs/dbraw/zinc/22/42/40/474224240.db2.gz VDPPDYBHXJGMBK-MRXNPFEDSA-N 2 2 342.491 2.505 40 0 EFABLP C[C@H](c1nnnn1C)[N@@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000225545263 474224248 /nfs/dbraw/zinc/22/42/48/474224248.db2.gz VDPPDYBHXJGMBK-MRXNPFEDSA-N 2 2 342.491 2.505 40 0 EFABLP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]([NH3+])C[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000265540592 474248435 /nfs/dbraw/zinc/24/84/35/474248435.db2.gz IFWGOUIKYKUCBK-OSYLJGHBSA-N 2 2 331.460 2.598 40 0 EFABLP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]([NH3+])C[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000265540592 474248443 /nfs/dbraw/zinc/24/84/43/474248443.db2.gz IFWGOUIKYKUCBK-OSYLJGHBSA-N 2 2 331.460 2.598 40 0 EFABLP CC[S@](=O)[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000245344035 474575160 /nfs/dbraw/zinc/57/51/60/474575160.db2.gz WZDWGULRTBJRKJ-DGGJZMOXSA-N 2 2 335.517 2.720 40 0 EFABLP CCc1[nH+]ccn1[C@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000253419980 474746741 /nfs/dbraw/zinc/74/67/41/474746741.db2.gz SZPMZKSVTCOUDS-HNNXBMFYSA-N 2 2 326.448 2.677 40 0 EFABLP CCc1[nH+]ccn1[C@H]1CCCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000253419980 474746751 /nfs/dbraw/zinc/74/67/51/474746751.db2.gz SZPMZKSVTCOUDS-HNNXBMFYSA-N 2 2 326.448 2.677 40 0 EFABLP Cn1cc(C[N@@H+]2C[C@@H]3Cn4c(-c5ccccc5)c[nH+]c4C[C@@H]3C2)cn1 ZINC000306132750 474808735 /nfs/dbraw/zinc/80/87/35/474808735.db2.gz LQZGHNKFJDDYIA-QZTJIDSGSA-N 2 2 333.439 2.588 40 0 EFABLP Cn1cc(C[N@H+]2C[C@@H]3Cn4c(-c5ccccc5)c[nH+]c4C[C@@H]3C2)cn1 ZINC000306132750 474808739 /nfs/dbraw/zinc/80/87/39/474808739.db2.gz LQZGHNKFJDDYIA-QZTJIDSGSA-N 2 2 333.439 2.588 40 0 EFABLP Cc1ccncc1C[N@@H+]1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257289044 474934294 /nfs/dbraw/zinc/93/42/94/474934294.db2.gz PWSWVBWVBLLPTE-INIZCTEOSA-N 2 2 334.427 2.745 40 0 EFABLP Cc1ccncc1C[N@H+]1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257289044 474934303 /nfs/dbraw/zinc/93/43/03/474934303.db2.gz PWSWVBWVBLLPTE-INIZCTEOSA-N 2 2 334.427 2.745 40 0 EFABLP Cc1ccc(C[N@@H+]2CCO[C@H](CCc3cc[nH+]c(N(C)C)c3)C2)cn1 ZINC000257295268 474938657 /nfs/dbraw/zinc/93/86/57/474938657.db2.gz QXQNBXSPRWIGPB-LJQANCHMSA-N 2 2 340.471 2.685 40 0 EFABLP Cc1ccc(C[N@H+]2CCO[C@H](CCc3cc[nH+]c(N(C)C)c3)C2)cn1 ZINC000257295268 474938660 /nfs/dbraw/zinc/93/86/60/474938660.db2.gz QXQNBXSPRWIGPB-LJQANCHMSA-N 2 2 340.471 2.685 40 0 EFABLP Cc1cc(N(C)C)cc([C@H]2C[N@H+](Cc3cnccc3C)CCO2)[nH+]1 ZINC000257331468 474959727 /nfs/dbraw/zinc/95/97/27/474959727.db2.gz XSZSQOFRNZBKJY-LJQANCHMSA-N 2 2 326.444 2.733 40 0 EFABLP Cc1cc(N(C)C)cc([C@H]2C[N@@H+](Cc3cnccc3C)CCO2)[nH+]1 ZINC000257331468 474959736 /nfs/dbraw/zinc/95/97/36/474959736.db2.gz XSZSQOFRNZBKJY-LJQANCHMSA-N 2 2 326.444 2.733 40 0 EFABLP Cc1cc(NC(=O)NC[C@@H]2CCC[NH2+]C2)c[nH+]c1N1CCCC[C@H]1C ZINC000333201891 475868375 /nfs/dbraw/zinc/86/83/75/475868375.db2.gz YABIBABFVATISL-HZPDHXFCSA-N 2 2 345.491 2.890 40 0 EFABLP CC[NH+](CC)CC[C@H]1C[N@H+](Cc2cnn(C(C)C)c2)Cc2ccnn21 ZINC000585112588 479288976 /nfs/dbraw/zinc/28/89/76/479288976.db2.gz UBRCAJLGHYJIQS-IBGZPJMESA-N 2 2 344.507 2.949 40 0 EFABLP CC[NH+](CC)CC[C@H]1C[N@@H+](Cc2cnn(C(C)C)c2)Cc2ccnn21 ZINC000585112588 479288983 /nfs/dbraw/zinc/28/89/83/479288983.db2.gz UBRCAJLGHYJIQS-IBGZPJMESA-N 2 2 344.507 2.949 40 0 EFABLP CC[NH+](CC)CC[C@H]1C[N@H+](Cc2cccc(C)n2)Cc2ccnn21 ZINC000585112646 479289236 /nfs/dbraw/zinc/28/92/36/479289236.db2.gz SNONIWAEDDGVOM-IBGZPJMESA-N 2 2 327.476 2.875 40 0 EFABLP CC[NH+](CC)CC[C@H]1C[N@@H+](Cc2cccc(C)n2)Cc2ccnn21 ZINC000585112646 479289243 /nfs/dbraw/zinc/28/92/43/479289243.db2.gz SNONIWAEDDGVOM-IBGZPJMESA-N 2 2 327.476 2.875 40 0 EFABLP CCc1[nH]c(C[N@@H+]2CC[C@@](O)(COc3ccccc3C)C2)c(C)[nH+]1 ZINC000585277661 479305989 /nfs/dbraw/zinc/30/59/89/479305989.db2.gz NUEOXGRJPLYJGD-IBGZPJMESA-N 2 2 329.444 2.605 40 0 EFABLP CCc1[nH]c(C[N@H+]2CC[C@@](O)(COc3ccccc3C)C2)c(C)[nH+]1 ZINC000585277661 479305993 /nfs/dbraw/zinc/30/59/93/479305993.db2.gz NUEOXGRJPLYJGD-IBGZPJMESA-N 2 2 329.444 2.605 40 0 EFABLP CCc1[nH]c(C[N@@H+]2CC[C@](O)(COc3cccc(C)c3)C2)c(C)[nH+]1 ZINC000585277845 479307470 /nfs/dbraw/zinc/30/74/70/479307470.db2.gz QAZZUKPHORINDD-LJQANCHMSA-N 2 2 329.444 2.605 40 0 EFABLP CCc1[nH]c(C[N@H+]2CC[C@](O)(COc3cccc(C)c3)C2)c(C)[nH+]1 ZINC000585277845 479307474 /nfs/dbraw/zinc/30/74/74/479307474.db2.gz QAZZUKPHORINDD-LJQANCHMSA-N 2 2 329.444 2.605 40 0 EFABLP COc1ccc2[nH+]ccc(N3CC[NH+](Cc4cc(C)no4)CC3)c2c1 ZINC000891618700 714865206 /nfs/dbraw/zinc/86/52/06/714865206.db2.gz USCZXFANPPCZQI-UHFFFAOYSA-N 2 2 338.411 2.862 40 0 EFABLP CCOC(=O)N1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000053094501 214164001 /nfs/dbraw/zinc/16/40/01/214164001.db2.gz FTEPEOCZRIOGLU-UHFFFAOYSA-N 2 2 328.416 2.583 40 0 EFABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072378625 216181477 /nfs/dbraw/zinc/18/14/77/216181477.db2.gz DGHXDWGMQROOIN-QGZVFWFLSA-N 2 2 334.427 2.957 40 0 EFABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072378625 216181480 /nfs/dbraw/zinc/18/14/80/216181480.db2.gz DGHXDWGMQROOIN-QGZVFWFLSA-N 2 2 334.427 2.957 40 0 EFABLP c1ccc(N2CC[NH+](C3CC[NH+]([C@@H]4CCSC4)CC3)CC2)cc1 ZINC000252478254 243760384 /nfs/dbraw/zinc/76/03/84/243760384.db2.gz AGXHJEKWVUYJCH-LJQANCHMSA-N 2 2 331.529 2.779 40 0 EFABLP Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)[nH+]1 ZINC000257225709 244198666 /nfs/dbraw/zinc/19/86/66/244198666.db2.gz FHKQICIWPABFSN-KRWDZBQOSA-N 2 2 326.444 2.800 40 0 EFABLP C[N@@H+]1CCN(Cc2c[nH]c[nH+]2)C[C@H](Cc2cccc3ncccc23)C1 ZINC000257242890 244247521 /nfs/dbraw/zinc/24/75/21/244247521.db2.gz IEPXOBNOOPWWBC-MRXNPFEDSA-N 2 2 335.455 2.564 40 0 EFABLP C[N@H+]1CCN(Cc2c[nH]c[nH+]2)C[C@H](Cc2cccc3ncccc23)C1 ZINC000257242890 244247525 /nfs/dbraw/zinc/24/75/25/244247525.db2.gz IEPXOBNOOPWWBC-MRXNPFEDSA-N 2 2 335.455 2.564 40 0 EFABLP Cc1nc(C[N@@H+]2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)cs1 ZINC000257257357 244285451 /nfs/dbraw/zinc/28/54/51/244285451.db2.gz KPFADRSSGDUWOC-AWEZNQCLSA-N 2 2 340.456 2.807 40 0 EFABLP Cc1nc(C[N@H+]2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)cs1 ZINC000257257357 244285459 /nfs/dbraw/zinc/28/54/59/244285459.db2.gz KPFADRSSGDUWOC-AWEZNQCLSA-N 2 2 340.456 2.807 40 0 EFABLP CCOc1ccc(C[N@@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019533370 212039432 /nfs/dbraw/zinc/03/94/32/212039432.db2.gz YNJACQZUAQAWPF-LJQANCHMSA-N 2 2 338.455 2.858 40 0 EFABLP CCOc1ccc(C[N@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019533370 212039434 /nfs/dbraw/zinc/03/94/34/212039434.db2.gz YNJACQZUAQAWPF-LJQANCHMSA-N 2 2 338.455 2.858 40 0 EFABLP Fc1cccc(C[N@@H+]2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)c1 ZINC000019293898 212012618 /nfs/dbraw/zinc/01/26/18/212012618.db2.gz WZYFROYCRYCHLP-HNNXBMFYSA-N 2 2 326.419 2.641 40 0 EFABLP Fc1cccc(C[N@H+]2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)c1 ZINC000019293898 212012619 /nfs/dbraw/zinc/01/26/19/212012619.db2.gz WZYFROYCRYCHLP-HNNXBMFYSA-N 2 2 326.419 2.641 40 0 EFABLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000330032893 258002486 /nfs/dbraw/zinc/00/24/86/258002486.db2.gz UAFWRUVIBPKRQZ-APWZRJJASA-N 2 2 340.471 2.828 40 0 EFABLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000330032893 258002487 /nfs/dbraw/zinc/00/24/87/258002487.db2.gz UAFWRUVIBPKRQZ-APWZRJJASA-N 2 2 340.471 2.828 40 0 EFABLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000330032893 258002488 /nfs/dbraw/zinc/00/24/88/258002488.db2.gz UAFWRUVIBPKRQZ-APWZRJJASA-N 2 2 340.471 2.828 40 0 EFABLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000330032893 258002489 /nfs/dbraw/zinc/00/24/89/258002489.db2.gz UAFWRUVIBPKRQZ-APWZRJJASA-N 2 2 340.471 2.828 40 0 EFABLP CCN1CCn2c(C)c[nH+]c2C12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096037057 473259144 /nfs/dbraw/zinc/25/91/44/473259144.db2.gz AQONSXPTQLQJMM-UHFFFAOYSA-N 2 2 328.460 2.920 40 0 EFABLP c1ccc2c(c1)[C@@H]1C[N@H+](Cc3ccncc3)C[C@@H]1[C@H]2[NH+]1CCOCC1 ZINC000096058348 473283830 /nfs/dbraw/zinc/28/38/30/473283830.db2.gz FSMXWUVGIIWRHB-ACRUOGEOSA-N 2 2 335.451 2.684 40 0 EFABLP c1ccc2c(c1)[C@@H]1C[N@@H+](Cc3ccncc3)C[C@@H]1[C@H]2[NH+]1CCOCC1 ZINC000096058348 473283836 /nfs/dbraw/zinc/28/38/36/473283836.db2.gz FSMXWUVGIIWRHB-ACRUOGEOSA-N 2 2 335.451 2.684 40 0 EFABLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cc[nH]n1)CC2 ZINC000096075292 473290983 /nfs/dbraw/zinc/29/09/83/473290983.db2.gz ZWRIHUIYVVMEFC-UHFFFAOYSA-N 2 2 329.448 2.645 40 0 EFABLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cc[nH]n1)CC2 ZINC000096075292 473290990 /nfs/dbraw/zinc/29/09/90/473290990.db2.gz ZWRIHUIYVVMEFC-UHFFFAOYSA-N 2 2 329.448 2.645 40 0 EFABLP Cc1cccc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)n1 ZINC000096196888 473332918 /nfs/dbraw/zinc/33/29/18/473332918.db2.gz TUCKUGJVENOWPT-UHFFFAOYSA-N 2 2 339.487 2.631 40 0 EFABLP Cc1cccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)n1 ZINC000096196888 473332925 /nfs/dbraw/zinc/33/29/25/473332925.db2.gz TUCKUGJVENOWPT-UHFFFAOYSA-N 2 2 339.487 2.631 40 0 EFABLP c1ccc(NCC[C@@]23CCO[C@@H]2CC[N@H+](Cc2ccncc2)C3)[nH+]c1 ZINC000096208633 473345288 /nfs/dbraw/zinc/34/52/88/473345288.db2.gz HJAHTZXFOFZKAE-QUCCMNQESA-N 2 2 338.455 2.960 40 0 EFABLP c1ccc(NCC[C@@]23CCO[C@@H]2CC[N@@H+](Cc2ccncc2)C3)[nH+]c1 ZINC000096208633 473345292 /nfs/dbraw/zinc/34/52/92/473345292.db2.gz HJAHTZXFOFZKAE-QUCCMNQESA-N 2 2 338.455 2.960 40 0 EFABLP Fc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCOCC1)O2 ZINC000096214940 473346879 /nfs/dbraw/zinc/34/68/79/473346879.db2.gz NHKQOPYACDJXRH-AZUAARDMSA-N 2 2 348.462 2.672 40 0 EFABLP Fc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCOCC1)O2 ZINC000096214940 473346886 /nfs/dbraw/zinc/34/68/86/473346886.db2.gz NHKQOPYACDJXRH-AZUAARDMSA-N 2 2 348.462 2.672 40 0 EFABLP COc1ccccc1C[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000096402785 473379038 /nfs/dbraw/zinc/37/90/38/473379038.db2.gz JVYQIZKJQPSGPF-UHFFFAOYSA-N 2 2 325.456 2.887 40 0 EFABLP COC1(C[NH2+][C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000097095364 472443274 /nfs/dbraw/zinc/44/32/74/472443274.db2.gz OUJPJRPDTADOFI-IEBWSBKVSA-N 2 2 332.488 2.682 40 0 EFABLP COC1(C[NH2+][C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000097095364 472443282 /nfs/dbraw/zinc/44/32/82/472443282.db2.gz OUJPJRPDTADOFI-IEBWSBKVSA-N 2 2 332.488 2.682 40 0 EFABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072355620 472663394 /nfs/dbraw/zinc/66/33/94/472663394.db2.gz VBBVEEKXZQIWBY-INIZCTEOSA-N 2 2 327.432 2.541 40 0 EFABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072355620 472663397 /nfs/dbraw/zinc/66/33/97/472663397.db2.gz VBBVEEKXZQIWBY-INIZCTEOSA-N 2 2 327.432 2.541 40 0 EFABLP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(F)cc1 ZINC000090909246 472664419 /nfs/dbraw/zinc/66/44/19/472664419.db2.gz NCYXVGBDYRZVDG-HXUWFJFHSA-N 2 2 343.446 2.682 40 0 EFABLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C(N)=O)c2ccccc2)[C@H]1c1cccs1 ZINC000110636792 473167592 /nfs/dbraw/zinc/16/75/92/473167592.db2.gz MUAFWYMDBAZTJO-NXHRZFHOSA-N 2 2 343.496 2.947 40 0 EFABLP C[N@H+]1CCC[C@H](C[NH2+][C@@H](C(N)=O)c2ccccc2)[C@H]1c1cccs1 ZINC000110636792 473167598 /nfs/dbraw/zinc/16/75/98/473167598.db2.gz MUAFWYMDBAZTJO-NXHRZFHOSA-N 2 2 343.496 2.947 40 0 EFABLP Cc1cc(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000096435934 473415713 /nfs/dbraw/zinc/41/57/13/473415713.db2.gz ZPFSZPLSFBSUMB-GOSISDBHSA-N 2 2 325.412 2.620 40 0 EFABLP Cc1cc(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000096435934 473415719 /nfs/dbraw/zinc/41/57/19/473415719.db2.gz ZPFSZPLSFBSUMB-GOSISDBHSA-N 2 2 325.412 2.620 40 0 EFABLP Cc1[nH+]c(N2CCCC2)ccc1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000096500849 473452792 /nfs/dbraw/zinc/45/27/92/473452792.db2.gz LTWJAXDOVBWIJG-UHFFFAOYSA-N 2 2 333.480 2.794 40 0 EFABLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000192067576 473620577 /nfs/dbraw/zinc/62/05/77/473620577.db2.gz ZZLFYXWBAQBSSA-RBUKOAKNSA-N 2 2 327.428 2.561 40 0 EFABLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000192067576 473620580 /nfs/dbraw/zinc/62/05/80/473620580.db2.gz ZZLFYXWBAQBSSA-RBUKOAKNSA-N 2 2 327.428 2.561 40 0 EFABLP COC(=O)[C@@H](c1ccccc1F)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000245913635 473761003 /nfs/dbraw/zinc/76/10/03/473761003.db2.gz RPDBQORYDZWVDK-RDTXWAMCSA-N 2 2 345.418 2.728 40 0 EFABLP COC(=O)[C@@H](c1ccccc1F)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000245913635 473761010 /nfs/dbraw/zinc/76/10/10/473761010.db2.gz RPDBQORYDZWVDK-RDTXWAMCSA-N 2 2 345.418 2.728 40 0 EFABLP COC(=O)c1oc([C@@H](C)[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000195549399 474093436 /nfs/dbraw/zinc/09/34/36/474093436.db2.gz GXESMGQYKJWSJG-UKRRQHHQSA-N 2 2 330.384 2.984 40 0 EFABLP COC(=O)c1oc([C@@H](C)[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000195549399 474093439 /nfs/dbraw/zinc/09/34/39/474093439.db2.gz GXESMGQYKJWSJG-UKRRQHHQSA-N 2 2 330.384 2.984 40 0 EFABLP COc1cccc([C@H]2[C@@H]([NH2+]C3CC[NH+](C)CC3)CCN2C2CC2)c1 ZINC000195554146 474094477 /nfs/dbraw/zinc/09/44/77/474094477.db2.gz DILBIQPHBVSQLP-PMACEKPBSA-N 2 2 329.488 2.657 40 0 EFABLP Fc1cccc(F)c1CNc1[nH+]cnc2c1cnn2C1CC[NH2+]CC1 ZINC000228936430 474251266 /nfs/dbraw/zinc/25/12/66/474251266.db2.gz BPOGPENDDVFPJZ-UHFFFAOYSA-N 2 2 344.369 2.641 40 0 EFABLP CC[NH+](CC)CC[C@@H]1CN(C(=O)c2ccoc2C)Cc2c[nH+]cn21 ZINC000248059974 474252636 /nfs/dbraw/zinc/25/26/36/474252636.db2.gz ZTBAAIMDNSFZJR-OAHLLOKOSA-N 2 2 330.432 2.714 40 0 EFABLP Cn1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000240894827 474551804 /nfs/dbraw/zinc/55/18/04/474551804.db2.gz IQFDQTQVCUKZAR-GUYCJALGSA-N 2 2 336.842 2.995 40 0 EFABLP Cn1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000240894827 474551810 /nfs/dbraw/zinc/55/18/10/474551810.db2.gz IQFDQTQVCUKZAR-GUYCJALGSA-N 2 2 336.842 2.995 40 0 EFABLP CC(C)n1nnnc1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000249285579 474552794 /nfs/dbraw/zinc/55/27/94/474552794.db2.gz LOMOJHHAWGZQQJ-MNZLEMJZSA-N 2 2 342.491 2.500 40 0 EFABLP CC(C)n1nnnc1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000249285579 474552801 /nfs/dbraw/zinc/55/28/01/474552801.db2.gz LOMOJHHAWGZQQJ-MNZLEMJZSA-N 2 2 342.491 2.500 40 0 EFABLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C)C2 ZINC000252586444 474699606 /nfs/dbraw/zinc/69/96/06/474699606.db2.gz QCRFSTKKDNANQQ-HRCADAONSA-N 2 2 348.491 2.884 40 0 EFABLP Cn1cc(-c2c[nH+]c3n2C[C@@H]2C[N@@H+](Cc4ccsc4)C[C@@H]2C3)cn1 ZINC000306141490 474811122 /nfs/dbraw/zinc/81/11/22/474811122.db2.gz VXUVCJLCDWCHPP-HOCLYGCPSA-N 2 2 339.468 2.649 40 0 EFABLP Cn1cc(-c2c[nH+]c3n2C[C@@H]2C[N@H+](Cc4ccsc4)C[C@@H]2C3)cn1 ZINC000306141490 474811128 /nfs/dbraw/zinc/81/11/28/474811128.db2.gz VXUVCJLCDWCHPP-HOCLYGCPSA-N 2 2 339.468 2.649 40 0 EFABLP Cc1cccc(C[N@@H+]2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)n1 ZINC000257314728 474948887 /nfs/dbraw/zinc/94/88/87/474948887.db2.gz UYFGLSOKEMJFAV-MRXNPFEDSA-N 2 2 334.427 2.745 40 0 EFABLP Cc1cccc(C[N@H+]2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)n1 ZINC000257314728 474948897 /nfs/dbraw/zinc/94/88/97/474948897.db2.gz UYFGLSOKEMJFAV-MRXNPFEDSA-N 2 2 334.427 2.745 40 0 EFABLP Cc1ncsc1C[N@@H+]1CCO[C@@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257319991 474951300 /nfs/dbraw/zinc/95/13/00/474951300.db2.gz VUWXRSAUDWSJMU-MRXNPFEDSA-N 2 2 332.473 2.794 40 0 EFABLP Cc1ncsc1C[N@H+]1CCO[C@@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257319991 474951308 /nfs/dbraw/zinc/95/13/08/474951308.db2.gz VUWXRSAUDWSJMU-MRXNPFEDSA-N 2 2 332.473 2.794 40 0 EFABLP CCc1[nH]c(C[N@@H+]2CCC[C@@H]2c2ccnc(CNC(C)=O)c2)c(C)[nH+]1 ZINC000257329236 474957131 /nfs/dbraw/zinc/95/71/31/474957131.db2.gz XJAVDPSSBRFSEK-GOSISDBHSA-N 2 2 341.459 2.649 40 0 EFABLP CCc1[nH]c(C[N@H+]2CCC[C@@H]2c2ccnc(CNC(C)=O)c2)c(C)[nH+]1 ZINC000257329236 474957138 /nfs/dbraw/zinc/95/71/38/474957138.db2.gz XJAVDPSSBRFSEK-GOSISDBHSA-N 2 2 341.459 2.649 40 0 EFABLP Cc1ccc(C[NH+]2CCC(C(=O)NCCCn3cc[nH+]c3)CC2)cc1 ZINC000408710415 476970836 /nfs/dbraw/zinc/97/08/36/476970836.db2.gz RCDBPEILQJBDEA-UHFFFAOYSA-N 2 2 340.471 2.610 40 0 EFABLP CCc1[nH]c(C[N@@H+]2CC[C@@H](O)[C@H](Cc3cccc(F)c3)C2)c(C)[nH+]1 ZINC000585277792 479306851 /nfs/dbraw/zinc/30/68/51/479306851.db2.gz PFUVILQETBRXBX-CRAIPNDOSA-N 2 2 331.435 2.845 40 0 EFABLP CCc1[nH]c(C[N@H+]2CC[C@@H](O)[C@H](Cc3cccc(F)c3)C2)c(C)[nH+]1 ZINC000585277792 479306856 /nfs/dbraw/zinc/30/68/56/479306856.db2.gz PFUVILQETBRXBX-CRAIPNDOSA-N 2 2 331.435 2.845 40 0 EFABLP COc1cccc(C[N@@H+]2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)c1 ZINC000019565444 202011868 /nfs/dbraw/zinc/01/18/68/202011868.db2.gz WZEGBWAUFWBHPV-IBGZPJMESA-N 2 2 338.455 2.858 40 0 EFABLP COc1cccc(C[N@H+]2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)c1 ZINC000019565444 202011871 /nfs/dbraw/zinc/01/18/71/202011871.db2.gz WZEGBWAUFWBHPV-IBGZPJMESA-N 2 2 338.455 2.858 40 0 EFABLP C[NH2+]C1CCC2(CC1)C[N@H+](Cc1cnc[nH]1)Cc1ccccc1O2 ZINC000019592012 202014708 /nfs/dbraw/zinc/01/47/08/202014708.db2.gz IFUIBUHZFWPTNA-UHFFFAOYSA-N 2 2 326.444 2.705 40 0 EFABLP C[NH2+]C1CCC2(CC1)C[N@@H+](Cc1cnc[nH]1)Cc1ccccc1O2 ZINC000019592012 202014710 /nfs/dbraw/zinc/01/47/10/202014710.db2.gz IFUIBUHZFWPTNA-UHFFFAOYSA-N 2 2 326.444 2.705 40 0 EFABLP Fc1ccc(-n2cc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)nc3)cn2)cc1 ZINC000077400613 202392798 /nfs/dbraw/zinc/39/27/98/202392798.db2.gz COXNDOWQUVQRHS-UHFFFAOYSA-N 2 2 348.385 2.882 40 0 EFABLP c1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000252584999 201184076 /nfs/dbraw/zinc/18/40/76/201184076.db2.gz FLESUZALCHSUTR-VJANTYMQSA-N 2 2 337.471 2.613 40 0 EFABLP c1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000252584999 201184082 /nfs/dbraw/zinc/18/40/82/201184082.db2.gz FLESUZALCHSUTR-VJANTYMQSA-N 2 2 337.471 2.613 40 0 EFABLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000252487180 201184462 /nfs/dbraw/zinc/18/44/62/201184462.db2.gz UEZXKOOTGCJAOX-RHSMWYFYSA-N 2 2 348.454 2.930 40 0 EFABLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000252487180 201184466 /nfs/dbraw/zinc/18/44/66/201184466.db2.gz UEZXKOOTGCJAOX-RHSMWYFYSA-N 2 2 348.454 2.930 40 0 EFABLP Cc1nc(N2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)c(C)c(C)[nH+]1 ZINC000191800227 239305644 /nfs/dbraw/zinc/30/56/44/239305644.db2.gz ZEURAGCFLABCGL-UHFFFAOYSA-N 2 2 348.491 2.644 40 0 EFABLP Cc1nc(N2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)c(C)c(C)[nH+]1 ZINC000191800227 239305649 /nfs/dbraw/zinc/30/56/49/239305649.db2.gz ZEURAGCFLABCGL-UHFFFAOYSA-N 2 2 348.491 2.644 40 0 EFABLP CNc1cc([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)cc[nH+]1 ZINC000257226094 244201137 /nfs/dbraw/zinc/20/11/37/244201137.db2.gz FJDIKAMWIUYVNC-MRXNPFEDSA-N 2 2 327.432 2.506 40 0 EFABLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257243502 244250892 /nfs/dbraw/zinc/25/08/92/244250892.db2.gz IHIAFFKPWXDYJX-KRWDZBQOSA-N 2 2 326.444 2.570 40 0 EFABLP Cc1[nH+]cc(-c2cncc(C3CC[NH+](Cc4cccnc4)CC3)n2)n1C ZINC000257247413 244259821 /nfs/dbraw/zinc/25/98/21/244259821.db2.gz IYYDSDFZLIFYHK-UHFFFAOYSA-N 2 2 348.454 2.960 40 0 EFABLP Cc1cn(C)c([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)[nH+]1 ZINC000257249139 244265650 /nfs/dbraw/zinc/26/56/50/244265650.db2.gz JGYPIYNZEOERSM-MRXNPFEDSA-N 2 2 343.475 2.845 40 0 EFABLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccoc3)CC[C@@H]21 ZINC000107203569 204227600 /nfs/dbraw/zinc/22/76/00/204227600.db2.gz OIPBYZNALQWJKJ-QYZOEREBSA-N 2 2 328.460 2.850 40 0 EFABLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccoc3)CC[C@@H]21 ZINC000107203569 204227604 /nfs/dbraw/zinc/22/76/04/204227604.db2.gz OIPBYZNALQWJKJ-QYZOEREBSA-N 2 2 328.460 2.850 40 0 EFABLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3ccoc3)CC[C@@H]21 ZINC000107203569 204227608 /nfs/dbraw/zinc/22/76/08/204227608.db2.gz OIPBYZNALQWJKJ-QYZOEREBSA-N 2 2 328.460 2.850 40 0 EFABLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3ccoc3)CC[C@@H]21 ZINC000107203569 204227611 /nfs/dbraw/zinc/22/76/11/204227611.db2.gz OIPBYZNALQWJKJ-QYZOEREBSA-N 2 2 328.460 2.850 40 0 EFABLP Cc1noc(C)c1C[N@@H+]1CC[C@]2(C[C@@H](Nc3cccc[nH+]3)CO2)C1 ZINC000107226089 204228110 /nfs/dbraw/zinc/22/81/10/204228110.db2.gz KNKFMFCBSKUHJW-QAPCUYQASA-N 2 2 328.416 2.532 40 0 EFABLP Cc1noc(C)c1C[N@H+]1CC[C@]2(C[C@@H](Nc3cccc[nH+]3)CO2)C1 ZINC000107226089 204228117 /nfs/dbraw/zinc/22/81/17/204228117.db2.gz KNKFMFCBSKUHJW-QAPCUYQASA-N 2 2 328.416 2.532 40 0 EFABLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000097375022 219018312 /nfs/dbraw/zinc/01/83/12/219018312.db2.gz KOOADZUSHYLTKD-ZWKOTPCHSA-N 2 2 347.484 2.566 40 0 EFABLP CC[NH+](CC)C[C@H]1CCC[N@H+](Cc2ccnc(N3CCCC3)n2)C1 ZINC000019526356 279134493 /nfs/dbraw/zinc/13/44/93/279134493.db2.gz LUXQCFWWJSRPII-QGZVFWFLSA-N 2 2 331.508 2.631 40 0 EFABLP CC[NH+](CC)C[C@H]1CCC[N@@H+](Cc2ccnc(N3CCCC3)n2)C1 ZINC000019526356 279134494 /nfs/dbraw/zinc/13/44/94/279134494.db2.gz LUXQCFWWJSRPII-QGZVFWFLSA-N 2 2 331.508 2.631 40 0 EFABLP C[C@H]([NH2+]Cc1cscn1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000078553295 289983098 /nfs/dbraw/zinc/98/30/98/289983098.db2.gz QGQWBWHBIFPRKZ-ZDUSSCGKSA-N 2 2 334.464 2.885 40 0 EFABLP COc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](n4cc[nH+]c4)CO3)C2)cc1 ZINC000096048561 473271439 /nfs/dbraw/zinc/27/14/39/473271439.db2.gz ZSUPZBRVNNTAMD-PKOBYXMFSA-N 2 2 327.428 2.888 40 0 EFABLP COc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](n4cc[nH+]c4)CO3)C2)cc1 ZINC000096048561 473271448 /nfs/dbraw/zinc/27/14/48/473271448.db2.gz ZSUPZBRVNNTAMD-PKOBYXMFSA-N 2 2 327.428 2.888 40 0 EFABLP Cn1cc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4cccc[nH+]4)C3)C2)cn1 ZINC000096051145 473276566 /nfs/dbraw/zinc/27/65/66/473276566.db2.gz NZLOFNMMUHBNHB-QGZVFWFLSA-N 2 2 347.413 2.553 40 0 EFABLP Cn1cc(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4cccc[nH+]4)C3)C2)cn1 ZINC000096051145 473276569 /nfs/dbraw/zinc/27/65/69/473276569.db2.gz NZLOFNMMUHBNHB-QGZVFWFLSA-N 2 2 347.413 2.553 40 0 EFABLP CCOC(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@H+](CC1CC1)CCC2 ZINC000096056050 473280365 /nfs/dbraw/zinc/28/03/65/473280365.db2.gz KUKFCYPRPAKHHT-PXNSSMCTSA-N 2 2 343.471 2.573 40 0 EFABLP CCOC(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@@H+](CC1CC1)CCC2 ZINC000096056050 473280374 /nfs/dbraw/zinc/28/03/74/473280374.db2.gz KUKFCYPRPAKHHT-PXNSSMCTSA-N 2 2 343.471 2.573 40 0 EFABLP Cc1ccc(C[N@@H+]2CCOC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)o1 ZINC000096062463 473285786 /nfs/dbraw/zinc/28/57/86/473285786.db2.gz NQSIMQOPOROGTG-IBGZPJMESA-N 2 2 327.428 2.712 40 0 EFABLP Cc1ccc(C[N@H+]2CCOC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)o1 ZINC000096062463 473285793 /nfs/dbraw/zinc/28/57/93/473285793.db2.gz NQSIMQOPOROGTG-IBGZPJMESA-N 2 2 327.428 2.712 40 0 EFABLP c1cncc(C[N@H+]2CCCC3(CC[NH+](CC[NH+]4CCCC4)CC3)C2)c1 ZINC000096071859 473289932 /nfs/dbraw/zinc/28/99/32/473289932.db2.gz RDMYEQWNWNXKGP-UHFFFAOYSA-N 3 2 342.531 2.855 40 0 EFABLP c1cncc(C[N@@H+]2CCCC3(CC[NH+](CC[NH+]4CCCC4)CC3)C2)c1 ZINC000096071859 473289935 /nfs/dbraw/zinc/28/99/35/473289935.db2.gz RDMYEQWNWNXKGP-UHFFFAOYSA-N 3 2 342.531 2.855 40 0 EFABLP Cc1ccsc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC000096108130 473300880 /nfs/dbraw/zinc/30/08/80/473300880.db2.gz FRKXUDGEGCWCHX-ZWKOTPCHSA-N 2 2 343.496 2.784 40 0 EFABLP Cc1ccsc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC000096108130 473300886 /nfs/dbraw/zinc/30/08/86/473300886.db2.gz FRKXUDGEGCWCHX-ZWKOTPCHSA-N 2 2 343.496 2.784 40 0 EFABLP Cc1ccsc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC000096108130 473300891 /nfs/dbraw/zinc/30/08/91/473300891.db2.gz FRKXUDGEGCWCHX-ZWKOTPCHSA-N 2 2 343.496 2.784 40 0 EFABLP Cc1ccsc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC000096108130 473300898 /nfs/dbraw/zinc/30/08/98/473300898.db2.gz FRKXUDGEGCWCHX-ZWKOTPCHSA-N 2 2 343.496 2.784 40 0 EFABLP Cc1ncsc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)CCO[C@@H]2C1 ZINC000096108177 473302280 /nfs/dbraw/zinc/30/22/80/473302280.db2.gz SIOSVSXPYMSLFC-GOEBONIOSA-N 2 2 349.525 2.846 40 0 EFABLP Cc1ncsc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)CCO[C@@H]2C1 ZINC000096108177 473302289 /nfs/dbraw/zinc/30/22/89/473302289.db2.gz SIOSVSXPYMSLFC-GOEBONIOSA-N 2 2 349.525 2.846 40 0 EFABLP Cc1ncsc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)CCO[C@@H]2C1 ZINC000096108177 473302294 /nfs/dbraw/zinc/30/22/94/473302294.db2.gz SIOSVSXPYMSLFC-GOEBONIOSA-N 2 2 349.525 2.846 40 0 EFABLP Cc1ncsc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)CCO[C@@H]2C1 ZINC000096108177 473302300 /nfs/dbraw/zinc/30/23/00/473302300.db2.gz SIOSVSXPYMSLFC-GOEBONIOSA-N 2 2 349.525 2.846 40 0 EFABLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](C[C@@H]1CCOC1)C2 ZINC000096189520 473331358 /nfs/dbraw/zinc/33/13/58/473331358.db2.gz XDDLQKUWWCZACQ-INIZCTEOSA-N 2 2 341.455 2.701 40 0 EFABLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](C[C@@H]1CCOC1)C2 ZINC000096189520 473331363 /nfs/dbraw/zinc/33/13/63/473331363.db2.gz XDDLQKUWWCZACQ-INIZCTEOSA-N 2 2 341.455 2.701 40 0 EFABLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](C[C@@H]1CCOC1)C2 ZINC000096189520 473331367 /nfs/dbraw/zinc/33/13/67/473331367.db2.gz XDDLQKUWWCZACQ-INIZCTEOSA-N 2 2 341.455 2.701 40 0 EFABLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](C[C@@H]1CCOC1)C2 ZINC000096189520 473331370 /nfs/dbraw/zinc/33/13/70/473331370.db2.gz XDDLQKUWWCZACQ-INIZCTEOSA-N 2 2 341.455 2.701 40 0 EFABLP Cc1cccc(N2CCN(CCn3cccn3)c3[nH+]c(C)ccc3C2)[nH+]1 ZINC000096199107 473335859 /nfs/dbraw/zinc/33/58/59/473335859.db2.gz SZKYCMZPKCNCAC-UHFFFAOYSA-N 2 2 348.454 2.817 40 0 EFABLP Cc1cccc(C[N@@H+]2CCOC[C@]3(CCN(c4cccc[nH+]4)C3)C2)n1 ZINC000096202247 473337049 /nfs/dbraw/zinc/33/70/49/473337049.db2.gz BOTPYAIURMYQPX-HXUWFJFHSA-N 2 2 338.455 2.514 40 0 EFABLP Cc1cccc(C[N@H+]2CCOC[C@]3(CCN(c4cccc[nH+]4)C3)C2)n1 ZINC000096202247 473337056 /nfs/dbraw/zinc/33/70/56/473337056.db2.gz BOTPYAIURMYQPX-HXUWFJFHSA-N 2 2 338.455 2.514 40 0 EFABLP Fc1ccc(C[N@@H+]2CCOC[C@]3(CC[NH+](C4CCOCC4)C3)C2)cc1 ZINC000096202041 473338784 /nfs/dbraw/zinc/33/87/84/473338784.db2.gz IKOZMKMLIKDVEA-HXUWFJFHSA-N 2 2 348.462 2.529 40 0 EFABLP Fc1ccc(C[N@H+]2CCOC[C@]3(CC[NH+](C4CCOCC4)C3)C2)cc1 ZINC000096202041 473338788 /nfs/dbraw/zinc/33/87/88/473338788.db2.gz IKOZMKMLIKDVEA-HXUWFJFHSA-N 2 2 348.462 2.529 40 0 EFABLP Fc1ccc(C[NH+]2CCOC[C@]3(CC[N@@H+](C4CCOCC4)C3)C2)cc1 ZINC000096202041 473338797 /nfs/dbraw/zinc/33/87/97/473338797.db2.gz IKOZMKMLIKDVEA-HXUWFJFHSA-N 2 2 348.462 2.529 40 0 EFABLP Fc1ccc(C[NH+]2CCOC[C@]3(CC[N@H+](C4CCOCC4)C3)C2)cc1 ZINC000096202041 473338807 /nfs/dbraw/zinc/33/88/07/473338807.db2.gz IKOZMKMLIKDVEA-HXUWFJFHSA-N 2 2 348.462 2.529 40 0 EFABLP Cc1cccc(C[N@@H+]2CCOC[C@]3(CC[NH+](C4CCOCC4)C3)C2)c1 ZINC000096202063 473338966 /nfs/dbraw/zinc/33/89/66/473338966.db2.gz AODHKFAVVHBZCC-OAQYLSRUSA-N 2 2 344.499 2.698 40 0 EFABLP Cc1cccc(C[N@H+]2CCOC[C@]3(CC[NH+](C4CCOCC4)C3)C2)c1 ZINC000096202063 473338973 /nfs/dbraw/zinc/33/89/73/473338973.db2.gz AODHKFAVVHBZCC-OAQYLSRUSA-N 2 2 344.499 2.698 40 0 EFABLP Cc1cccc(C[NH+]2CCOC[C@]3(CC[N@@H+](C4CCOCC4)C3)C2)c1 ZINC000096202063 473338978 /nfs/dbraw/zinc/33/89/78/473338978.db2.gz AODHKFAVVHBZCC-OAQYLSRUSA-N 2 2 344.499 2.698 40 0 EFABLP Cc1cccc(C[NH+]2CCOC[C@]3(CC[N@H+](C4CCOCC4)C3)C2)c1 ZINC000096202063 473338985 /nfs/dbraw/zinc/33/89/85/473338985.db2.gz AODHKFAVVHBZCC-OAQYLSRUSA-N 2 2 344.499 2.698 40 0 EFABLP c1ccc(C[N@H+]2CC[C@H]3OCC[C@@]3(CCNc3cccc[nH+]3)C2)nc1 ZINC000096208387 473345787 /nfs/dbraw/zinc/34/57/87/473345787.db2.gz VGLLHGVAJIKWBW-QUCCMNQESA-N 2 2 338.455 2.960 40 0 EFABLP c1ccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(CCNc3cccc[nH+]3)C2)nc1 ZINC000096208387 473345791 /nfs/dbraw/zinc/34/57/91/473345791.db2.gz VGLLHGVAJIKWBW-QUCCMNQESA-N 2 2 338.455 2.960 40 0 EFABLP O=C(NCCCCn1cc[nH+]c1)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000096404842 473381297 /nfs/dbraw/zinc/38/12/97/473381297.db2.gz UXILEYBFDKXHTM-SFHVURJKSA-N 2 2 347.507 2.713 40 0 EFABLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)C[C@H](O)C(F)(F)F ZINC000121444852 472853595 /nfs/dbraw/zinc/85/35/95/472853595.db2.gz KSMAZCXJJDTNFJ-KBMXLJTQSA-N 2 2 330.394 2.752 40 0 EFABLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)C[C@H](O)C(F)(F)F ZINC000121444852 472853601 /nfs/dbraw/zinc/85/36/01/472853601.db2.gz KSMAZCXJJDTNFJ-KBMXLJTQSA-N 2 2 330.394 2.752 40 0 EFABLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)C[C@H](O)C(F)(F)F ZINC000121444852 472853605 /nfs/dbraw/zinc/85/36/05/472853605.db2.gz KSMAZCXJJDTNFJ-KBMXLJTQSA-N 2 2 330.394 2.752 40 0 EFABLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000121444852 472853611 /nfs/dbraw/zinc/85/36/11/472853611.db2.gz KSMAZCXJJDTNFJ-KBMXLJTQSA-N 2 2 330.394 2.752 40 0 EFABLP Cc1cccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1F ZINC000122358903 473005204 /nfs/dbraw/zinc/00/52/04/473005204.db2.gz RKZOJAQDJSXMSH-UHFFFAOYSA-N 2 2 348.466 2.814 40 0 EFABLP c1ccc(-c2cccc(C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)c2)nc1 ZINC000093664893 473133563 /nfs/dbraw/zinc/13/35/63/473133563.db2.gz XJBPCPLBULENAR-LJQANCHMSA-N 2 2 337.467 2.903 40 0 EFABLP c1ccc(-c2cccc(C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)c2)nc1 ZINC000093664893 473133571 /nfs/dbraw/zinc/13/35/71/473133571.db2.gz XJBPCPLBULENAR-LJQANCHMSA-N 2 2 337.467 2.903 40 0 EFABLP Cc1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000096434655 473413691 /nfs/dbraw/zinc/41/36/91/473413691.db2.gz QRAFGOPNNSTERB-UHFFFAOYSA-N 2 2 336.455 2.624 40 0 EFABLP Cc1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000096434655 473413698 /nfs/dbraw/zinc/41/36/98/473413698.db2.gz QRAFGOPNNSTERB-UHFFFAOYSA-N 2 2 336.455 2.624 40 0 EFABLP C[S@@](=O)c1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000096461185 473433455 /nfs/dbraw/zinc/43/34/55/473433455.db2.gz DMZXWOSWKXYAPW-QHCPKHFHSA-N 2 2 325.437 2.900 40 0 EFABLP CC[S@@](=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000096479147 473441159 /nfs/dbraw/zinc/44/11/59/473441159.db2.gz WZDWGULRTBJRKJ-MFEFFIJZSA-N 2 2 335.517 2.720 40 0 EFABLP C[N@@H+]1CC[C@H](CSc2[nH+]cnc3c2cnn3Cc2ccccc2)C1 ZINC000191204073 473506969 /nfs/dbraw/zinc/50/69/69/473506969.db2.gz VWDKEQQXMQNFKU-HNNXBMFYSA-N 2 2 339.468 2.918 40 0 EFABLP C[N@H+]1CC[C@H](CSc2[nH+]cnc3c2cnn3Cc2ccccc2)C1 ZINC000191204073 473506971 /nfs/dbraw/zinc/50/69/71/473506971.db2.gz VWDKEQQXMQNFKU-HNNXBMFYSA-N 2 2 339.468 2.918 40 0 EFABLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C(N)=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000195531268 474090599 /nfs/dbraw/zinc/09/05/99/474090599.db2.gz MUAFWYMDBAZTJO-KBAYOESNSA-N 2 2 343.496 2.947 40 0 EFABLP C[N@H+]1CCC[C@H](C[NH2+][C@@H](C(N)=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000195531268 474090605 /nfs/dbraw/zinc/09/06/05/474090605.db2.gz MUAFWYMDBAZTJO-KBAYOESNSA-N 2 2 343.496 2.947 40 0 EFABLP O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000195576387 474100163 /nfs/dbraw/zinc/10/01/63/474100163.db2.gz BZIYQKGFTJTLTL-GOSISDBHSA-N 2 2 348.406 2.699 40 0 EFABLP O=C(O[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000195576387 474100170 /nfs/dbraw/zinc/10/01/70/474100170.db2.gz BZIYQKGFTJTLTL-GOSISDBHSA-N 2 2 348.406 2.699 40 0 EFABLP Nc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc[nH+]1 ZINC000225615774 474230711 /nfs/dbraw/zinc/23/07/11/474230711.db2.gz GQYTZKAOFKNPDA-CYBMUJFWSA-N 2 2 338.333 2.731 40 0 EFABLP Nc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc[nH+]1 ZINC000225615774 474230718 /nfs/dbraw/zinc/23/07/18/474230718.db2.gz GQYTZKAOFKNPDA-CYBMUJFWSA-N 2 2 338.333 2.731 40 0 EFABLP Fc1ccccc1CNc1[nH+]cnc2c1cnn2C1CC[NH2+]CC1 ZINC000228936707 474251335 /nfs/dbraw/zinc/25/13/35/474251335.db2.gz CZVFYSBOQHLQHZ-UHFFFAOYSA-N 2 2 326.379 2.502 40 0 EFABLP CC[NH+](CC)CC[C@H]1CN(C(=O)c2cccc(F)c2)Cc2c[nH+]cn21 ZINC000248261589 474286849 /nfs/dbraw/zinc/28/68/49/474286849.db2.gz QVOYYZGAVVMCAB-KRWDZBQOSA-N 2 2 344.434 2.951 40 0 EFABLP Cc1nc(N2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)c(C)c(C)[nH+]1 ZINC000239654519 474546407 /nfs/dbraw/zinc/54/64/07/474546407.db2.gz BODOXWKEWVMVJF-UHFFFAOYSA-N 2 2 342.491 2.676 40 0 EFABLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)C[C@H](O)C(F)(F)F ZINC000252585737 474699197 /nfs/dbraw/zinc/69/91/97/474699197.db2.gz KSMAZCXJJDTNFJ-BMFZPTHFSA-N 2 2 330.394 2.752 40 0 EFABLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)C[C@H](O)C(F)(F)F ZINC000252585737 474699202 /nfs/dbraw/zinc/69/92/02/474699202.db2.gz KSMAZCXJJDTNFJ-BMFZPTHFSA-N 2 2 330.394 2.752 40 0 EFABLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)C[C@H](O)C(F)(F)F ZINC000252585737 474699210 /nfs/dbraw/zinc/69/92/10/474699210.db2.gz KSMAZCXJJDTNFJ-BMFZPTHFSA-N 2 2 330.394 2.752 40 0 EFABLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000252585737 474699222 /nfs/dbraw/zinc/69/92/22/474699222.db2.gz KSMAZCXJJDTNFJ-BMFZPTHFSA-N 2 2 330.394 2.752 40 0 EFABLP Cn1cc(-c2c[nH+]c3n2C[C@H]2C[N@@H+](Cc4ccccc4)C[C@@H]2C3)cn1 ZINC000306144458 474811365 /nfs/dbraw/zinc/81/13/65/474811365.db2.gz ZFYUASLYBDVJTO-FUHWJXTLSA-N 2 2 333.439 2.588 40 0 EFABLP Cn1cc(-c2c[nH+]c3n2C[C@H]2C[N@H+](Cc4ccccc4)C[C@@H]2C3)cn1 ZINC000306144458 474811372 /nfs/dbraw/zinc/81/13/72/474811372.db2.gz ZFYUASLYBDVJTO-FUHWJXTLSA-N 2 2 333.439 2.588 40 0 EFABLP Cc1ccncc1C[N@@H+]1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257289045 474935147 /nfs/dbraw/zinc/93/51/47/474935147.db2.gz PWSWVBWVBLLPTE-MRXNPFEDSA-N 2 2 334.427 2.745 40 0 EFABLP Cc1ccncc1C[N@H+]1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257289045 474935154 /nfs/dbraw/zinc/93/51/54/474935154.db2.gz PWSWVBWVBLLPTE-MRXNPFEDSA-N 2 2 334.427 2.745 40 0 EFABLP Cc1cncc(C[N@H+]2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)c1 ZINC000257297160 474938344 /nfs/dbraw/zinc/93/83/44/474938344.db2.gz RGDMEFAHZUCSPY-GOSISDBHSA-N 2 2 325.460 2.887 40 0 EFABLP Cc1cncc(C[N@@H+]2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)c1 ZINC000257297160 474938351 /nfs/dbraw/zinc/93/83/51/474938351.db2.gz RGDMEFAHZUCSPY-GOSISDBHSA-N 2 2 325.460 2.887 40 0 EFABLP Cc1cccc(N2CCC(Cc3cnc(C[NH+](C)C)cn3)CC2)[nH+]1 ZINC000257344656 474965754 /nfs/dbraw/zinc/96/57/54/474965754.db2.gz ZYELKOAQEORJSU-UHFFFAOYSA-N 2 2 325.460 2.701 40 0 EFABLP CC(C)c1[nH+]c2c(n1C)CCN(c1cc[nH+]c(N3CCCCC3)n1)C2 ZINC000354075578 476408322 /nfs/dbraw/zinc/40/83/22/476408322.db2.gz MERUGHAOMUGDQZ-UHFFFAOYSA-N 2 2 340.475 2.887 40 0 EFABLP Cn1c[nH+]cc1C[N@@H+]1CC[C@@H]2O[C@@](C)(COc3ccccc3)C[C@@H]2C1 ZINC000585262368 479303291 /nfs/dbraw/zinc/30/32/91/479303291.db2.gz FDNYNTUVJPQSDS-LSTHTHJFSA-N 2 2 341.455 2.869 40 0 EFABLP Cn1c[nH+]cc1C[N@H+]1CC[C@@H]2O[C@@](C)(COc3ccccc3)C[C@@H]2C1 ZINC000585262368 479303297 /nfs/dbraw/zinc/30/32/97/479303297.db2.gz FDNYNTUVJPQSDS-LSTHTHJFSA-N 2 2 341.455 2.869 40 0 EFABLP CCc1[nH]c(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)[C@@H](O)C2)c(C)[nH+]1 ZINC000585278342 479307213 /nfs/dbraw/zinc/30/72/13/479307213.db2.gz CFPUIRYVJLFYQN-QAPCUYQASA-N 2 2 331.435 2.845 40 0 EFABLP CCc1[nH]c(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)[C@@H](O)C2)c(C)[nH+]1 ZINC000585278342 479307220 /nfs/dbraw/zinc/30/72/20/479307220.db2.gz CFPUIRYVJLFYQN-QAPCUYQASA-N 2 2 331.435 2.845 40 0 EFABLP Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2)[C@H]1O ZINC000585288910 479309547 /nfs/dbraw/zinc/30/95/47/479309547.db2.gz LCZFEBPSPYYDBY-QXAKKESOSA-N 2 2 329.444 2.532 40 0 EFABLP C[C@@H](C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1)N1CC[NH+](C)CC1 ZINC000183558246 534084385 /nfs/dbraw/zinc/08/43/85/534084385.db2.gz LTUVGCQXJXZCKZ-OXJNMPFZSA-N 2 2 342.462 2.536 40 0 EFABLP COc1ccccc1C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CCOC1 ZINC000036740325 213115247 /nfs/dbraw/zinc/11/52/47/213115247.db2.gz QNRSXRZQERTLCZ-KRWDZBQOSA-N 2 2 329.444 2.821 40 0 EFABLP COc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CCOC1 ZINC000036740325 213115248 /nfs/dbraw/zinc/11/52/48/213115248.db2.gz QNRSXRZQERTLCZ-KRWDZBQOSA-N 2 2 329.444 2.821 40 0 EFABLP C[NH+](C)Cc1cc(CC2([NH2+]Cc3cc4ccccc4o3)COC2)no1 ZINC000072321911 216150117 /nfs/dbraw/zinc/15/01/17/216150117.db2.gz ZNPZJPSJXZWEFF-UHFFFAOYSA-N 2 2 341.411 2.584 40 0 biogenic,in-vitro EFABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2cncn2C)n1 ZINC000072355711 216163377 /nfs/dbraw/zinc/16/33/77/216163377.db2.gz GQZTULDQMAJWAQ-QGZVFWFLSA-N 2 2 336.443 2.900 40 0 EFABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2Cc2cncn2C)n1 ZINC000072355711 216163379 /nfs/dbraw/zinc/16/33/79/216163379.db2.gz GQZTULDQMAJWAQ-QGZVFWFLSA-N 2 2 336.443 2.900 40 0 EFABLP CNc1ncc(C[N@@H+]2CCC[C@H]2c2cccc(-n3cc[nH+]c3C)n2)cn1 ZINC000072366768 216172080 /nfs/dbraw/zinc/17/20/80/216172080.db2.gz GTRNURNYRWKFLD-KRWDZBQOSA-N 2 2 349.442 2.745 40 0 EFABLP CNc1ncc(C[N@H+]2CCC[C@H]2c2cccc(-n3cc[nH+]c3C)n2)cn1 ZINC000072366768 216172081 /nfs/dbraw/zinc/17/20/81/216172081.db2.gz GTRNURNYRWKFLD-KRWDZBQOSA-N 2 2 349.442 2.745 40 0 EFABLP OCC[NH2+]CC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000023263511 212365025 /nfs/dbraw/zinc/36/50/25/212365025.db2.gz LVSIMYLDCCUFCY-UHFFFAOYSA-N 2 2 334.847 2.591 40 0 EFABLP CCn1cc(C[N@@H+]2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)c(C)n1 ZINC000257217944 244175080 /nfs/dbraw/zinc/17/50/80/244175080.db2.gz DBFNQPMEDVOOIN-SFHVURJKSA-N 2 2 342.491 2.709 40 0 EFABLP CCn1cc(C[N@H+]2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)c(C)n1 ZINC000257217944 244175088 /nfs/dbraw/zinc/17/50/88/244175088.db2.gz DBFNQPMEDVOOIN-SFHVURJKSA-N 2 2 342.491 2.709 40 0 EFABLP Cn1c[nH+]cc1CN1CC[N@H+](C)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257226429 244201540 /nfs/dbraw/zinc/20/15/40/244201540.db2.gz FKORNUUWSSZDND-QGZVFWFLSA-N 2 2 349.482 2.575 40 0 EFABLP Cn1c[nH+]cc1CN1CC[N@@H+](C)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257226429 244201547 /nfs/dbraw/zinc/20/15/47/244201547.db2.gz FKORNUUWSSZDND-QGZVFWFLSA-N 2 2 349.482 2.575 40 0 EFABLP Cc1cncc(C[N@@H+]2CCO[C@H](CCc3cc[nH+]c(N(C)C)c3)C2)c1 ZINC000257229791 244209775 /nfs/dbraw/zinc/20/97/75/244209775.db2.gz FZMGPSSYUFIQJC-LJQANCHMSA-N 2 2 340.471 2.685 40 0 EFABLP Cc1cncc(C[N@H+]2CCO[C@H](CCc3cc[nH+]c(N(C)C)c3)C2)c1 ZINC000257229791 244209781 /nfs/dbraw/zinc/20/97/81/244209781.db2.gz FZMGPSSYUFIQJC-LJQANCHMSA-N 2 2 340.471 2.685 40 0 EFABLP Cc1ncsc1C[N@@H+]1CCO[C@H](CCc2cc[nH+]c(N(C)C)c2)C1 ZINC000257268260 244367252 /nfs/dbraw/zinc/36/72/52/244367252.db2.gz MKXPXIRCJUFXLO-MRXNPFEDSA-N 2 2 346.500 2.746 40 0 EFABLP Cc1ncsc1C[N@H+]1CCO[C@H](CCc2cc[nH+]c(N(C)C)c2)C1 ZINC000257268260 244367260 /nfs/dbraw/zinc/36/72/60/244367260.db2.gz MKXPXIRCJUFXLO-MRXNPFEDSA-N 2 2 346.500 2.746 40 0 EFABLP Cc1cnccc1C[N@@H+]1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257271360 244378999 /nfs/dbraw/zinc/37/89/99/244378999.db2.gz MXZIJWZYUQNNCS-KRWDZBQOSA-N 2 2 334.427 2.745 40 0 EFABLP Cc1cnccc1C[N@H+]1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257271360 244379005 /nfs/dbraw/zinc/37/90/05/244379005.db2.gz MXZIJWZYUQNNCS-KRWDZBQOSA-N 2 2 334.427 2.745 40 0 EFABLP CNc1cc([C@H]2CCC[NH2+]C2)nc(C[N@H+](C)Cc2ccccc2C)n1 ZINC000019709964 212057029 /nfs/dbraw/zinc/05/70/29/212057029.db2.gz KLZKDBLKGISNAN-INIZCTEOSA-N 2 2 339.487 2.926 40 0 EFABLP CNc1cc([C@H]2CCC[NH2+]C2)nc(C[N@@H+](C)Cc2ccccc2C)n1 ZINC000019709964 212057031 /nfs/dbraw/zinc/05/70/31/212057031.db2.gz KLZKDBLKGISNAN-INIZCTEOSA-N 2 2 339.487 2.926 40 0 EFABLP COc1cccc(C[N@@H+]2CCc3nc(C4CC[NH2+]CC4)ncc3C2)c1 ZINC000019565461 212043326 /nfs/dbraw/zinc/04/33/26/212043326.db2.gz SXBIFPOGSPQWGD-UHFFFAOYSA-N 2 2 338.455 2.511 40 0 EFABLP COc1cccc(C[N@H+]2CCc3nc(C4CC[NH2+]CC4)ncc3C2)c1 ZINC000019565461 212043330 /nfs/dbraw/zinc/04/33/30/212043330.db2.gz SXBIFPOGSPQWGD-UHFFFAOYSA-N 2 2 338.455 2.511 40 0 EFABLP Fc1cccc(C[N@@H+]2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)c1 ZINC000019293894 212013126 /nfs/dbraw/zinc/01/31/26/212013126.db2.gz QHVLKCBFYHAIMJ-GOSISDBHSA-N 2 2 326.419 2.989 40 0 EFABLP Fc1cccc(C[N@H+]2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)c1 ZINC000019293894 212013127 /nfs/dbraw/zinc/01/31/27/212013127.db2.gz QHVLKCBFYHAIMJ-GOSISDBHSA-N 2 2 326.419 2.989 40 0 EFABLP C[C@@H]([NH2+]Cc1cscn1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000078553299 217075640 /nfs/dbraw/zinc/07/56/40/217075640.db2.gz QGQWBWHBIFPRKZ-CYBMUJFWSA-N 2 2 334.464 2.885 40 0 EFABLP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000110712331 220060081 /nfs/dbraw/zinc/06/00/81/220060081.db2.gz XCRNYSIYSXLKGC-FQEVSTJZSA-N 2 2 339.483 2.698 40 0 EFABLP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000110712331 220060084 /nfs/dbraw/zinc/06/00/84/220060084.db2.gz XCRNYSIYSXLKGC-FQEVSTJZSA-N 2 2 339.483 2.698 40 0 EFABLP CNc1[nH+]cccc1CN1C[C@@H](C[NH+]2CCOCC2)c2ccccc21 ZINC000012240988 211327555 /nfs/dbraw/zinc/32/75/55/211327555.db2.gz SBJWEEOKRLCNCE-QGZVFWFLSA-N 2 2 338.455 2.559 40 0 EFABLP COc1ccccc1C[N@@H+](Cc1c[nH+]c(C)n1C)C[C@@H]1CCCO1 ZINC000012147108 211306677 /nfs/dbraw/zinc/30/66/77/211306677.db2.gz VDWKMBAJVMCNAD-SFHVURJKSA-N 2 2 329.444 2.918 40 0 EFABLP COc1ccccc1C[N@H+](Cc1c[nH+]c(C)n1C)C[C@@H]1CCCO1 ZINC000012147108 211306680 /nfs/dbraw/zinc/30/66/80/211306680.db2.gz VDWKMBAJVMCNAD-SFHVURJKSA-N 2 2 329.444 2.918 40 0 EFABLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000092666335 218157268 /nfs/dbraw/zinc/15/72/68/218157268.db2.gz GOGIOPOTUBKFRB-QZTJIDSGSA-N 2 2 347.551 2.629 40 0 EFABLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000330032895 258002436 /nfs/dbraw/zinc/00/24/36/258002436.db2.gz UAFWRUVIBPKRQZ-QFBILLFUSA-N 2 2 340.471 2.828 40 0 EFABLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000330032895 258002437 /nfs/dbraw/zinc/00/24/37/258002437.db2.gz UAFWRUVIBPKRQZ-QFBILLFUSA-N 2 2 340.471 2.828 40 0 EFABLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000330032895 258002438 /nfs/dbraw/zinc/00/24/38/258002438.db2.gz UAFWRUVIBPKRQZ-QFBILLFUSA-N 2 2 340.471 2.828 40 0 EFABLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000330032895 258002439 /nfs/dbraw/zinc/00/24/39/258002439.db2.gz UAFWRUVIBPKRQZ-QFBILLFUSA-N 2 2 340.471 2.828 40 0 EFABLP Cc1cc([C@](C)(O)C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c(C)o1 ZINC000164178508 226052840 /nfs/dbraw/zinc/05/28/40/226052840.db2.gz RWNDGVRBAGNOEI-HXUWFJFHSA-N 2 2 343.471 2.753 40 0 EFABLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(OC)c(Cl)c3)C2)CC1 ZINC000096486746 544558776 /nfs/dbraw/zinc/55/87/76/544558776.db2.gz JVLRWBBZYJUSJT-MRXNPFEDSA-N 2 2 337.895 2.560 40 0 EFABLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(OC)c(Cl)c3)C2)CC1 ZINC000096486746 544558780 /nfs/dbraw/zinc/55/87/80/544558780.db2.gz JVLRWBBZYJUSJT-MRXNPFEDSA-N 2 2 337.895 2.560 40 0 EFABLP CC[NH+](CC)C[C@@H]1Cn2cc[nH+]c2CN(CCc2ccccc2)C1 ZINC000096188296 273638386 /nfs/dbraw/zinc/63/83/86/273638386.db2.gz PTVKZMTXKXUYCB-IBGZPJMESA-N 2 2 326.488 2.899 40 0 EFABLP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2cnn(C)c2)C3)o1 ZINC000096046984 473268316 /nfs/dbraw/zinc/26/83/16/473268316.db2.gz IOVNZIVELFNJBW-LJQANCHMSA-N 2 2 328.460 2.810 40 0 EFABLP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2cnn(C)c2)C3)o1 ZINC000096046984 473268321 /nfs/dbraw/zinc/26/83/21/473268321.db2.gz IOVNZIVELFNJBW-LJQANCHMSA-N 2 2 328.460 2.810 40 0 EFABLP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2cnn(C)c2)C3)o1 ZINC000096046984 473268331 /nfs/dbraw/zinc/26/83/31/473268331.db2.gz IOVNZIVELFNJBW-LJQANCHMSA-N 2 2 328.460 2.810 40 0 EFABLP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2cnn(C)c2)C3)o1 ZINC000096046984 473268333 /nfs/dbraw/zinc/26/83/33/473268333.db2.gz IOVNZIVELFNJBW-LJQANCHMSA-N 2 2 328.460 2.810 40 0 EFABLP Cc1ccc(C[N@@H+]2CCOC[C@]3(C[C@H](Cn4cc[nH+]c4)CO3)C2)s1 ZINC000096052067 473276651 /nfs/dbraw/zinc/27/66/51/473276651.db2.gz CWWDOTJNCULINI-AEFFLSMTSA-N 2 2 347.484 2.561 40 0 EFABLP Cc1ccc(C[N@H+]2CCOC[C@]3(C[C@H](Cn4cc[nH+]c4)CO3)C2)s1 ZINC000096052067 473276656 /nfs/dbraw/zinc/27/66/56/473276656.db2.gz CWWDOTJNCULINI-AEFFLSMTSA-N 2 2 347.484 2.561 40 0 EFABLP CC[NH+](CC)C[C@H]1Cn2cc[nH+]c2CN(CCc2ccccc2)C1 ZINC000096188297 473331448 /nfs/dbraw/zinc/33/14/48/473331448.db2.gz PTVKZMTXKXUYCB-LJQANCHMSA-N 2 2 326.488 2.899 40 0 EFABLP Fc1cccc(C[N@@H+]2CCOC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)c1 ZINC000096202062 473337137 /nfs/dbraw/zinc/33/71/37/473337137.db2.gz KODXQACMGQFYQC-FQEVSTJZSA-N 2 2 348.462 2.529 40 0 EFABLP Fc1cccc(C[N@H+]2CCOC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)c1 ZINC000096202062 473337141 /nfs/dbraw/zinc/33/71/41/473337141.db2.gz KODXQACMGQFYQC-FQEVSTJZSA-N 2 2 348.462 2.529 40 0 EFABLP Fc1cccc(C[NH+]2CCOC[C@@]3(CC[N@@H+](C4CCOCC4)C3)C2)c1 ZINC000096202062 473337148 /nfs/dbraw/zinc/33/71/48/473337148.db2.gz KODXQACMGQFYQC-FQEVSTJZSA-N 2 2 348.462 2.529 40 0 EFABLP Fc1cccc(C[NH+]2CCOC[C@@]3(CC[N@H+](C4CCOCC4)C3)C2)c1 ZINC000096202062 473337153 /nfs/dbraw/zinc/33/71/53/473337153.db2.gz KODXQACMGQFYQC-FQEVSTJZSA-N 2 2 348.462 2.529 40 0 EFABLP Cc1ccc(C[N@@H+]2CCOC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)cc1 ZINC000096202040 473337314 /nfs/dbraw/zinc/33/73/14/473337314.db2.gz AAFVJQUIAAJSBB-NRFANRHFSA-N 2 2 344.499 2.698 40 0 EFABLP Cc1ccc(C[N@H+]2CCOC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)cc1 ZINC000096202040 473337322 /nfs/dbraw/zinc/33/73/22/473337322.db2.gz AAFVJQUIAAJSBB-NRFANRHFSA-N 2 2 344.499 2.698 40 0 EFABLP Cc1ccc(C[NH+]2CCOC[C@@]3(CC[N@@H+](C4CCOCC4)C3)C2)cc1 ZINC000096202040 473337326 /nfs/dbraw/zinc/33/73/26/473337326.db2.gz AAFVJQUIAAJSBB-NRFANRHFSA-N 2 2 344.499 2.698 40 0 EFABLP Cc1ccc(C[NH+]2CCOC[C@@]3(CC[N@H+](C4CCOCC4)C3)C2)cc1 ZINC000096202040 473337332 /nfs/dbraw/zinc/33/73/32/473337332.db2.gz AAFVJQUIAAJSBB-NRFANRHFSA-N 2 2 344.499 2.698 40 0 EFABLP c1csc(C[N@H+]2CCC[C@]3(CCN(CC[NH+]4CCCC4)C3)C2)n1 ZINC000096215836 473346135 /nfs/dbraw/zinc/34/61/35/473346135.db2.gz XTMMXPHGKUSDQE-GOSISDBHSA-N 2 2 334.533 2.527 40 0 EFABLP c1csc(C[N@@H+]2CCC[C@]3(CCN(CC[NH+]4CCCC4)C3)C2)n1 ZINC000096215836 473346142 /nfs/dbraw/zinc/34/61/42/473346142.db2.gz XTMMXPHGKUSDQE-GOSISDBHSA-N 2 2 334.533 2.527 40 0 EFABLP Fc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCOCC1)O2 ZINC000096218124 473350008 /nfs/dbraw/zinc/35/00/08/473350008.db2.gz NHKQOPYACDJXRH-UYAOXDASSA-N 2 2 348.462 2.672 40 0 EFABLP Fc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCOCC1)O2 ZINC000096218124 473350015 /nfs/dbraw/zinc/35/00/15/473350015.db2.gz NHKQOPYACDJXRH-UYAOXDASSA-N 2 2 348.462 2.672 40 0 EFABLP C[N@@H+]1C[C@@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000096220688 473354474 /nfs/dbraw/zinc/35/44/74/473354474.db2.gz PGCHWEPENQSWSZ-FXAWDEMLSA-N 2 2 341.455 2.645 40 0 EFABLP C[N@H+]1C[C@@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000096220688 473354478 /nfs/dbraw/zinc/35/44/78/473354478.db2.gz PGCHWEPENQSWSZ-FXAWDEMLSA-N 2 2 341.455 2.645 40 0 EFABLP C[NH+]1C[C@@H](COCc2ccccn2)[C@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096220688 473354482 /nfs/dbraw/zinc/35/44/82/473354482.db2.gz PGCHWEPENQSWSZ-FXAWDEMLSA-N 2 2 341.455 2.645 40 0 EFABLP C[NH+]1C[C@@H](COCc2ccccn2)[C@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096220688 473354490 /nfs/dbraw/zinc/35/44/90/473354490.db2.gz PGCHWEPENQSWSZ-FXAWDEMLSA-N 2 2 341.455 2.645 40 0 EFABLP c1ccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4cccnc4)C3)C2)[nH+]c1 ZINC000096229055 473359217 /nfs/dbraw/zinc/35/92/17/473359217.db2.gz UAEKZOHVANEGJB-HXUWFJFHSA-N 2 2 338.455 2.596 40 0 EFABLP c1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4cccnc4)C3)C2)[nH+]c1 ZINC000096229055 473359226 /nfs/dbraw/zinc/35/92/26/473359226.db2.gz UAEKZOHVANEGJB-HXUWFJFHSA-N 2 2 338.455 2.596 40 0 EFABLP CCOC(=O)C[N@@H+]1Cc2ccccc2C2(CC[NH+](C(C)C)CC2)C1 ZINC000096242416 473362682 /nfs/dbraw/zinc/36/26/82/473362682.db2.gz JXSFSYLMVBNQQP-UHFFFAOYSA-N 2 2 330.472 2.807 40 0 EFABLP CCOC(=O)C[N@H+]1Cc2ccccc2C2(CC[NH+](C(C)C)CC2)C1 ZINC000096242416 473362688 /nfs/dbraw/zinc/36/26/88/473362688.db2.gz JXSFSYLMVBNQQP-UHFFFAOYSA-N 2 2 330.472 2.807 40 0 EFABLP CC[NH+](CC)C[C@@H]1CCC[N@H+](Cc2ccnc(N3CCCC3)n2)C1 ZINC000019526355 471982015 /nfs/dbraw/zinc/98/20/15/471982015.db2.gz LUXQCFWWJSRPII-KRWDZBQOSA-N 2 2 331.508 2.631 40 0 EFABLP CC[NH+](CC)C[C@@H]1CCC[N@@H+](Cc2ccnc(N3CCCC3)n2)C1 ZINC000019526355 471982021 /nfs/dbraw/zinc/98/20/21/471982021.db2.gz LUXQCFWWJSRPII-KRWDZBQOSA-N 2 2 331.508 2.631 40 0 EFABLP C[C@H](O)C[NH2+]CC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000022075454 472010139 /nfs/dbraw/zinc/01/01/39/472010139.db2.gz YUFOQNSEIZGYIY-HNNXBMFYSA-N 2 2 348.874 2.979 40 0 EFABLP CCOc1ccccc1OCC[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000075644818 472175672 /nfs/dbraw/zinc/17/56/72/472175672.db2.gz KCTNKKUNXZGTLP-KRWDZBQOSA-N 2 2 348.487 2.649 40 0 EFABLP CCOc1ccccc1OCC[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000075644818 472175678 /nfs/dbraw/zinc/17/56/78/472175678.db2.gz KCTNKKUNXZGTLP-KRWDZBQOSA-N 2 2 348.487 2.649 40 0 EFABLP C[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000097104544 472448664 /nfs/dbraw/zinc/44/86/64/472448664.db2.gz VRTXQBOWIYCPIF-OAHLLOKOSA-N 2 2 342.443 2.553 40 0 EFABLP C[C@@H]1CCC[N@H+]1Cc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000097104544 472448670 /nfs/dbraw/zinc/44/86/70/472448670.db2.gz VRTXQBOWIYCPIF-OAHLLOKOSA-N 2 2 342.443 2.553 40 0 EFABLP C[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000097104545 472449134 /nfs/dbraw/zinc/44/91/34/472449134.db2.gz VRTXQBOWIYCPIF-HNNXBMFYSA-N 2 2 342.443 2.553 40 0 EFABLP C[C@H]1CCC[N@H+]1Cc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000097104545 472449138 /nfs/dbraw/zinc/44/91/38/472449138.db2.gz VRTXQBOWIYCPIF-HNNXBMFYSA-N 2 2 342.443 2.553 40 0 EFABLP Cc1cccc([C@@H](C)NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1C ZINC000096452356 473428683 /nfs/dbraw/zinc/42/86/83/473428683.db2.gz XOOUXBFHXBSWPN-QGZVFWFLSA-N 2 2 346.519 2.690 40 0 EFABLP C[S@](=O)c1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000096461186 473433741 /nfs/dbraw/zinc/43/37/41/473433741.db2.gz DMZXWOSWKXYAPW-HSZRJFAPSA-N 2 2 325.437 2.900 40 0 EFABLP Brc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)o1 ZINC000191124047 473484191 /nfs/dbraw/zinc/48/41/91/473484191.db2.gz NYVCFNLKOCGQAB-GFCCVEGCSA-N 2 2 343.265 2.633 40 0 EFABLP COc1cccc([C@H]2[C@H]([NH2+]C3CC[NH+](C)CC3)CCN2C2CC2)c1 ZINC000195554148 474094719 /nfs/dbraw/zinc/09/47/19/474094719.db2.gz DILBIQPHBVSQLP-UXHICEINSA-N 2 2 329.488 2.657 40 0 EFABLP c1snnc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000195560530 474095858 /nfs/dbraw/zinc/09/58/58/474095858.db2.gz MOODXJKMMJJRAQ-RYQLBKOJSA-N 2 2 328.485 2.928 40 0 EFABLP c1snnc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000195560530 474095863 /nfs/dbraw/zinc/09/58/63/474095863.db2.gz MOODXJKMMJJRAQ-RYQLBKOJSA-N 2 2 328.485 2.928 40 0 EFABLP Cc1ccccc1CCC(=O)N1Cc2c[nH+]cn2[C@@H](CC[NH+](C)C)C1 ZINC000248077753 474256719 /nfs/dbraw/zinc/25/67/19/474256719.db2.gz BZHALDLNONAGMB-SFHVURJKSA-N 2 2 340.471 2.659 40 0 EFABLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000283221890 474343312 /nfs/dbraw/zinc/34/33/12/474343312.db2.gz SVGWSHQWTWDSEB-LPHOPBHVSA-N 2 2 340.471 2.970 40 0 EFABLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000283221890 474343323 /nfs/dbraw/zinc/34/33/23/474343323.db2.gz SVGWSHQWTWDSEB-LPHOPBHVSA-N 2 2 340.471 2.970 40 0 EFABLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000283221890 474343331 /nfs/dbraw/zinc/34/33/31/474343331.db2.gz SVGWSHQWTWDSEB-LPHOPBHVSA-N 2 2 340.471 2.970 40 0 EFABLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000283221890 474343338 /nfs/dbraw/zinc/34/33/38/474343338.db2.gz SVGWSHQWTWDSEB-LPHOPBHVSA-N 2 2 340.471 2.970 40 0 EFABLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000245228131 474572801 /nfs/dbraw/zinc/57/28/01/474572801.db2.gz FZYGLXLTKSKKPV-GGPKGHCWSA-N 2 2 332.488 2.515 40 0 EFABLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000245228131 474572803 /nfs/dbraw/zinc/57/28/03/474572803.db2.gz FZYGLXLTKSKKPV-GGPKGHCWSA-N 2 2 332.488 2.515 40 0 EFABLP c1ccc(N2CC[NH+](C3CC[NH+](C[C@@H]4CCCCO4)CC3)CC2)cc1 ZINC000252499124 474681675 /nfs/dbraw/zinc/68/16/75/474681675.db2.gz RVTPMKXABCTDMO-NRFANRHFSA-N 2 2 343.515 2.842 40 0 EFABLP CCCCc1[nH]c(CN2CCO[C@H](CCc3cc[nH+]c(N)c3)C2)c[nH+]1 ZINC000257281012 474929168 /nfs/dbraw/zinc/92/91/68/474929168.db2.gz ONHFEFVXVKPGLF-QGZVFWFLSA-N 2 2 343.475 2.563 40 0 EFABLP CCCCc1[nH]cc(CN2CCO[C@H](CCc3cc[nH+]c(N)c3)C2)[nH+]1 ZINC000257281012 474929180 /nfs/dbraw/zinc/92/91/80/474929180.db2.gz ONHFEFVXVKPGLF-QGZVFWFLSA-N 2 2 343.475 2.563 40 0 EFABLP CCc1[nH]c(CN2CC[N@H+](C)[C@@H](c3ccccc3OC)C2)c(C)[nH+]1 ZINC000257290209 474934036 /nfs/dbraw/zinc/93/40/36/474934036.db2.gz QCANXEJEEXQRPI-QGZVFWFLSA-N 2 2 328.460 2.778 40 0 EFABLP CCc1[nH]c(CN2CC[N@@H+](C)[C@@H](c3ccccc3OC)C2)c(C)[nH+]1 ZINC000257290209 474934042 /nfs/dbraw/zinc/93/40/42/474934042.db2.gz QCANXEJEEXQRPI-QGZVFWFLSA-N 2 2 328.460 2.778 40 0 EFABLP CCOc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]c(C)cn3C)C2)cc1CO ZINC000257315669 474949204 /nfs/dbraw/zinc/94/92/04/474949204.db2.gz VCIOAGBTXLXHJT-MRXNPFEDSA-N 2 2 329.444 2.609 40 0 EFABLP CCOc1ccc(C[N@H+]2CC[C@@H](c3[nH+]c(C)cn3C)C2)cc1CO ZINC000257315669 474949210 /nfs/dbraw/zinc/94/92/10/474949210.db2.gz VCIOAGBTXLXHJT-MRXNPFEDSA-N 2 2 329.444 2.609 40 0 EFABLP O=c1[nH]c([C@@H]2CCCC[NH2+]2)nc2c1CC[N@H+](Cc1ccsc1)C2 ZINC000257313970 474949706 /nfs/dbraw/zinc/94/97/06/474949706.db2.gz UUWKEWXITBPPFX-AWEZNQCLSA-N 2 2 330.457 2.617 40 0 EFABLP O=c1[nH]c([C@@H]2CCCC[NH2+]2)nc2c1CC[N@@H+](Cc1ccsc1)C2 ZINC000257313970 474949714 /nfs/dbraw/zinc/94/97/14/474949714.db2.gz UUWKEWXITBPPFX-AWEZNQCLSA-N 2 2 330.457 2.617 40 0 EFABLP Cc1cc(N)cc([C@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)[nH+]1 ZINC000257323549 474952466 /nfs/dbraw/zinc/95/24/66/474952466.db2.gz WKUZFSSSPTYREO-LJQANCHMSA-N 2 2 349.438 2.936 40 0 EFABLP Cc1cc(N)cc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)[nH+]1 ZINC000257323549 474952479 /nfs/dbraw/zinc/95/24/79/474952479.db2.gz WKUZFSSSPTYREO-LJQANCHMSA-N 2 2 349.438 2.936 40 0 EFABLP CC[NH+](CC)CC[C@@H]1C[N@H+](Cc2cccc(C)n2)Cc2ccnn21 ZINC000585112647 479288643 /nfs/dbraw/zinc/28/86/43/479288643.db2.gz SNONIWAEDDGVOM-LJQANCHMSA-N 2 2 327.476 2.875 40 0 EFABLP CC[NH+](CC)CC[C@@H]1C[N@@H+](Cc2cccc(C)n2)Cc2ccnn21 ZINC000585112647 479288650 /nfs/dbraw/zinc/28/86/50/479288650.db2.gz SNONIWAEDDGVOM-LJQANCHMSA-N 2 2 327.476 2.875 40 0 EFABLP CC[NH+](CC)CC[C@@H]1C[N@H+](Cc2cnn(C(C)C)c2)Cc2ccnn21 ZINC000585112594 479288999 /nfs/dbraw/zinc/28/89/99/479288999.db2.gz UBRCAJLGHYJIQS-LJQANCHMSA-N 2 2 344.507 2.949 40 0 EFABLP CC[NH+](CC)CC[C@@H]1C[N@@H+](Cc2cnn(C(C)C)c2)Cc2ccnn21 ZINC000585112594 479289002 /nfs/dbraw/zinc/28/90/02/479289002.db2.gz UBRCAJLGHYJIQS-LJQANCHMSA-N 2 2 344.507 2.949 40 0 EFABLP C[NH+](C)Cc1cnc([C@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)CCO2)[nH]1 ZINC000585182596 479303616 /nfs/dbraw/zinc/30/36/16/479303616.db2.gz XIIWGCDOLNKXDV-GOSISDBHSA-N 2 2 339.443 2.526 40 0 EFABLP C[NH+](C)Cc1cnc([C@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)CCO2)[nH]1 ZINC000585182596 479303625 /nfs/dbraw/zinc/30/36/25/479303625.db2.gz XIIWGCDOLNKXDV-GOSISDBHSA-N 2 2 339.443 2.526 40 0 EFABLP C[NH+](C)Cc1c[nH]c([C@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)CCO2)n1 ZINC000585182596 479303626 /nfs/dbraw/zinc/30/36/26/479303626.db2.gz XIIWGCDOLNKXDV-GOSISDBHSA-N 2 2 339.443 2.526 40 0 EFABLP C[NH+](C)Cc1c[nH]c([C@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)CCO2)n1 ZINC000585182596 479303636 /nfs/dbraw/zinc/30/36/36/479303636.db2.gz XIIWGCDOLNKXDV-GOSISDBHSA-N 2 2 339.443 2.526 40 0 EFABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)n1 ZINC000072355610 216165130 /nfs/dbraw/zinc/16/51/30/216165130.db2.gz QIGNQSOBVXVJSP-OAHLLOKOSA-N 2 2 349.442 2.707 40 0 EFABLP C[C@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)n1cc[nH+]c1 ZINC000073102587 216348670 /nfs/dbraw/zinc/34/86/70/216348670.db2.gz UMLIBBIDIPRTTC-CQSZACIVSA-N 2 2 325.416 2.599 40 0 EFABLP c1nn(C2CC[NH2+]CC2)c2nc[nH+]c(Nc3ccc4c(c3)CCC4)c12 ZINC000228940081 240233862 /nfs/dbraw/zinc/23/38/62/240233862.db2.gz ZRYNFMMUMYTPLO-UHFFFAOYSA-N 2 2 334.427 2.983 40 0 EFABLP CCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]c(C)cn3C)C2)cc1CO ZINC000257339520 240312887 /nfs/dbraw/zinc/31/28/87/240312887.db2.gz ZCBMWMFPHCJZOR-KRWDZBQOSA-N 2 2 343.471 2.999 40 0 EFABLP CCOc1ccc(C[N@H+]2CCC[C@H](c3[nH+]c(C)cn3C)C2)cc1CO ZINC000257339520 240312893 /nfs/dbraw/zinc/31/28/93/240312893.db2.gz ZCBMWMFPHCJZOR-KRWDZBQOSA-N 2 2 343.471 2.999 40 0 EFABLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2Cc3ccccc3O2)CC1 ZINC000195556405 241005136 /nfs/dbraw/zinc/00/51/36/241005136.db2.gz FDRHCFDJQUCGBG-OAHLLOKOSA-N 2 2 328.378 2.997 40 0 EFABLP Fc1cccnc1C[N@@H+]1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257217600 244175501 /nfs/dbraw/zinc/17/55/01/244175501.db2.gz CZRNGCUJWABYBL-CQSZACIVSA-N 2 2 338.390 2.576 40 0 EFABLP Fc1cccnc1C[N@H+]1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257217600 244175509 /nfs/dbraw/zinc/17/55/09/244175509.db2.gz CZRNGCUJWABYBL-CQSZACIVSA-N 2 2 338.390 2.576 40 0 EFABLP Cc1ccc(N(C)[C@@H]2COC3(C2)CC[NH+](Cc2c[nH+]c[nH]2)CC3)cc1 ZINC000257211539 244154588 /nfs/dbraw/zinc/15/45/88/244154588.db2.gz BZHMIQQIZZPUHV-IBGZPJMESA-N 2 2 340.471 2.978 40 0 EFABLP Cn1c[nH+]cc1CN1CC[N@H+](C)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257222648 244187103 /nfs/dbraw/zinc/18/71/03/244187103.db2.gz DUEHPGXCKLVJED-QGZVFWFLSA-N 2 2 349.482 2.575 40 0 EFABLP Cn1c[nH+]cc1CN1CC[N@@H+](C)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257222648 244187106 /nfs/dbraw/zinc/18/71/06/244187106.db2.gz DUEHPGXCKLVJED-QGZVFWFLSA-N 2 2 349.482 2.575 40 0 EFABLP CCCn1ccnc1C[N@@H+]1CCC[C@@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257233872 244223084 /nfs/dbraw/zinc/22/30/84/244223084.db2.gz GRDACPUBXIIKOA-QGZVFWFLSA-N 2 2 342.491 2.790 40 0 EFABLP CCCn1ccnc1C[N@H+]1CCC[C@@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257233872 244223089 /nfs/dbraw/zinc/22/30/89/244223089.db2.gz GRDACPUBXIIKOA-QGZVFWFLSA-N 2 2 342.491 2.790 40 0 EFABLP CCCn1cc[nH+]c1CN1CCC[C@@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257233872 244223092 /nfs/dbraw/zinc/22/30/92/244223092.db2.gz GRDACPUBXIIKOA-QGZVFWFLSA-N 2 2 342.491 2.790 40 0 EFABLP Cc1ncsc1C[N@@H+]1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257249261 244266203 /nfs/dbraw/zinc/26/62/03/244266203.db2.gz JHMYVFMYCBMQQB-AWEZNQCLSA-N 2 2 340.456 2.807 40 0 EFABLP Cc1ncsc1C[N@H+]1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257249261 244266208 /nfs/dbraw/zinc/26/62/08/244266208.db2.gz JHMYVFMYCBMQQB-AWEZNQCLSA-N 2 2 340.456 2.807 40 0 EFABLP CCc1[nH]c(C[N@H+](C)[C@@H]2CC[C@H](Oc3ccccc3)[C@H]2O)c(C)[nH+]1 ZINC000257255554 244280544 /nfs/dbraw/zinc/28/05/44/244280544.db2.gz KHXWFARCIZXNIC-AOIWGVFYSA-N 2 2 329.444 2.683 40 0 EFABLP CCc1[nH]c(C[N@@H+](C)[C@@H]2CC[C@H](Oc3ccccc3)[C@H]2O)c(C)[nH+]1 ZINC000257255554 244280553 /nfs/dbraw/zinc/28/05/53/244280553.db2.gz KHXWFARCIZXNIC-AOIWGVFYSA-N 2 2 329.444 2.683 40 0 EFABLP CNc1ncccc1C[N@@H+]1CCC[C@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257258343 244291619 /nfs/dbraw/zinc/29/16/19/244291619.db2.gz KTKRUDUXTRMUGB-INIZCTEOSA-N 2 2 325.460 2.964 40 0 EFABLP CNc1ncccc1C[N@H+]1CCC[C@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257258343 244291625 /nfs/dbraw/zinc/29/16/25/244291625.db2.gz KTKRUDUXTRMUGB-INIZCTEOSA-N 2 2 325.460 2.964 40 0 EFABLP CN(c1ccc(F)cc1)[C@H]1COC2(C1)CC[NH+](Cc1c[nH+]c[nH]1)CC2 ZINC000257276650 244395615 /nfs/dbraw/zinc/39/56/15/244395615.db2.gz NUPFMFZQZLRABI-GOSISDBHSA-N 2 2 344.434 2.809 40 0 EFABLP CCn1c(C)[nH+]c2cc(NC(=O)c3noc(C)c3C[NH+](C)C)ccc21 ZINC000019714774 212057736 /nfs/dbraw/zinc/05/77/36/212057736.db2.gz YVPPJHZFBAVUKC-UHFFFAOYSA-N 2 2 341.415 2.975 40 0 EFABLP COc1cccc(C[N@@H+]2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)c1 ZINC000019565459 212043338 /nfs/dbraw/zinc/04/33/38/212043338.db2.gz JHGAQIHMINMUIL-INIZCTEOSA-N 2 2 338.455 2.511 40 0 EFABLP COc1cccc(C[N@H+]2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)c1 ZINC000019565459 212043341 /nfs/dbraw/zinc/04/33/41/212043341.db2.gz JHGAQIHMINMUIL-INIZCTEOSA-N 2 2 338.455 2.511 40 0 EFABLP [NH3+]CC[NH2+][C@H](CC(=O)c1cc2ccccc2oc1=O)c1ccccc1 ZINC000019203789 212004771 /nfs/dbraw/zinc/00/47/71/212004771.db2.gz PEBHFAYCXONKTK-QGZVFWFLSA-N 2 2 336.391 2.655 40 0 EFABLP CC(C)N(C[C@H]1CCCC[N@@H+]1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411628 217221796 /nfs/dbraw/zinc/22/17/96/217221796.db2.gz CFCVSRPAOQYBQB-GOSISDBHSA-N 2 2 333.476 2.847 40 0 EFABLP CC(C)N(C[C@H]1CCCC[N@H+]1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411628 217221799 /nfs/dbraw/zinc/22/17/99/217221799.db2.gz CFCVSRPAOQYBQB-GOSISDBHSA-N 2 2 333.476 2.847 40 0 EFABLP [NH3+]CC[N@H+](C[C@@H]1CCCCN1C(=O)OCc1ccccc1)C1CC1 ZINC000079391872 217218878 /nfs/dbraw/zinc/21/88/78/217218878.db2.gz DJUBMRPYFLJRPC-SFHVURJKSA-N 2 2 331.460 2.601 40 0 EFABLP [NH3+]CC[N@@H+](C[C@@H]1CCCCN1C(=O)OCc1ccccc1)C1CC1 ZINC000079391872 217218882 /nfs/dbraw/zinc/21/88/82/217218882.db2.gz DJUBMRPYFLJRPC-SFHVURJKSA-N 2 2 331.460 2.601 40 0 EFABLP C[N@@H+]1CCC[C@@H]2C[NH+](CC3(C[NH+]4CCOCC4)CCCCC3)CC[C@@H]21 ZINC000092043356 218108904 /nfs/dbraw/zinc/10/89/04/218108904.db2.gz AZXCNRWFSJJBRE-UXHICEINSA-N 3 2 349.563 2.685 40 0 EFABLP C[N@H+]1CCC[C@@H]2C[NH+](CC3(C[NH+]4CCOCC4)CCCCC3)CC[C@@H]21 ZINC000092043356 218108905 /nfs/dbraw/zinc/10/89/05/218108905.db2.gz AZXCNRWFSJJBRE-UXHICEINSA-N 3 2 349.563 2.685 40 0 EFABLP C[NH+]1CCC[C@@H]2C[N@H+](CC3(C[NH+]4CCOCC4)CCCCC3)CC[C@@H]21 ZINC000092043356 218108907 /nfs/dbraw/zinc/10/89/07/218108907.db2.gz AZXCNRWFSJJBRE-UXHICEINSA-N 3 2 349.563 2.685 40 0 EFABLP C[NH+]1CCC[C@@H]2C[N@@H+](CC3(C[NH+]4CCOCC4)CCCCC3)CC[C@@H]21 ZINC000092043356 218108908 /nfs/dbraw/zinc/10/89/08/218108908.db2.gz AZXCNRWFSJJBRE-UXHICEINSA-N 3 2 349.563 2.685 40 0 EFABLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(OC)c(Cl)c3)C2)CC1 ZINC000096486747 544558752 /nfs/dbraw/zinc/55/87/52/544558752.db2.gz JVLRWBBZYJUSJT-INIZCTEOSA-N 2 2 337.895 2.560 40 0 EFABLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(OC)c(Cl)c3)C2)CC1 ZINC000096486747 544558758 /nfs/dbraw/zinc/55/87/58/544558758.db2.gz JVLRWBBZYJUSJT-INIZCTEOSA-N 2 2 337.895 2.560 40 0 EFABLP COc1cccc([C@@H]2Cn3cc[nH+]c3CN2C2CC[NH+](C)CC2)c1 ZINC000257216169 278020859 /nfs/dbraw/zinc/02/08/59/278020859.db2.gz CTKVDDZGZODDQL-SFHVURJKSA-N 2 2 326.444 2.543 40 0 EFABLP CC(C)n1nc(C[NH+]2CCCCC2)c2c1C[N@@H+](C1CCOCC1)C2 ZINC000096259170 278142021 /nfs/dbraw/zinc/14/20/21/278142021.db2.gz GGRYGWADAZILDI-UHFFFAOYSA-N 2 2 332.492 2.945 40 0 EFABLP CC(C)n1nc(C[NH+]2CCCCC2)c2c1C[N@H+](C1CCOCC1)C2 ZINC000096259170 278142023 /nfs/dbraw/zinc/14/20/23/278142023.db2.gz GGRYGWADAZILDI-UHFFFAOYSA-N 2 2 332.492 2.945 40 0 EFABLP CC(C)n1nnnc1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000189947328 323452861 /nfs/dbraw/zinc/45/28/61/323452861.db2.gz LOMOJHHAWGZQQJ-HZPDHXFCSA-N 2 2 342.491 2.500 40 0 EFABLP Fc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC[NH+]4CCCC4)CC[C@@H]32)cc1 ZINC000096057931 473281882 /nfs/dbraw/zinc/28/18/82/473281882.db2.gz AEMRPYRVPWYWJS-XUVXKRRUSA-N 2 2 348.462 2.670 40 0 EFABLP Fc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCC[NH+]4CCCC4)CC[C@@H]32)cc1 ZINC000096057931 473281890 /nfs/dbraw/zinc/28/18/90/473281890.db2.gz AEMRPYRVPWYWJS-XUVXKRRUSA-N 2 2 348.462 2.670 40 0 EFABLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccccn3)CC[C@@H]21 ZINC000096185690 473326256 /nfs/dbraw/zinc/32/62/56/473326256.db2.gz OGEKAJRJTFCGIR-HOJAQTOUSA-N 2 2 339.487 2.652 40 0 EFABLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccccn3)CC[C@@H]21 ZINC000096185690 473326262 /nfs/dbraw/zinc/32/62/62/473326262.db2.gz OGEKAJRJTFCGIR-HOJAQTOUSA-N 2 2 339.487 2.652 40 0 EFABLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3ccccn3)CC[C@@H]21 ZINC000096185690 473326269 /nfs/dbraw/zinc/32/62/69/473326269.db2.gz OGEKAJRJTFCGIR-HOJAQTOUSA-N 2 2 339.487 2.652 40 0 EFABLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3ccccn3)CC[C@@H]21 ZINC000096185690 473326272 /nfs/dbraw/zinc/32/62/72/473326272.db2.gz OGEKAJRJTFCGIR-HOJAQTOUSA-N 2 2 339.487 2.652 40 0 EFABLP CC(C)[N@@H+]1[C@H](C[NH+]2CCCC2)C[C@@H]2CN(C(=O)c3ccoc3)CC[C@@H]21 ZINC000096185595 473327523 /nfs/dbraw/zinc/32/75/23/473327523.db2.gz BHHLNGLQQLKCSY-QYZOEREBSA-N 2 2 345.487 2.689 40 0 EFABLP CC(C)[N@H+]1[C@H](C[NH+]2CCCC2)C[C@@H]2CN(C(=O)c3ccoc3)CC[C@@H]21 ZINC000096185595 473327528 /nfs/dbraw/zinc/32/75/28/473327528.db2.gz BHHLNGLQQLKCSY-QYZOEREBSA-N 2 2 345.487 2.689 40 0 EFABLP CC[NH+](CC)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2cccs2)C1 ZINC000096188292 473331249 /nfs/dbraw/zinc/33/12/49/473331249.db2.gz WWOPOIVPFXRLFX-CQSZACIVSA-N 2 2 332.473 2.559 40 0 EFABLP c1[nH+]cn2c1C[N@H+](CCc1ccccc1)C[C@@H](COCC1CC1)C2 ZINC000096206229 473341059 /nfs/dbraw/zinc/34/10/59/473341059.db2.gz KOWHMWVMHBYBGD-LJQANCHMSA-N 2 2 325.456 2.984 40 0 EFABLP c1[nH+]cn2c1C[N@@H+](CCc1ccccc1)C[C@@H](COCC1CC1)C2 ZINC000096206229 473341066 /nfs/dbraw/zinc/34/10/66/473341066.db2.gz KOWHMWVMHBYBGD-LJQANCHMSA-N 2 2 325.456 2.984 40 0 EFABLP Cc1cccc(C[N@H+]2CCC[C@]3(CCN(Cc4[nH+]ccn4C)C3)C2)n1 ZINC000096216118 473348157 /nfs/dbraw/zinc/34/81/57/473348157.db2.gz FYZAWXOLIJJBER-FQEVSTJZSA-N 2 2 339.487 2.612 40 0 EFABLP Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4[nH+]ccn4C)C3)C2)n1 ZINC000096216118 473348164 /nfs/dbraw/zinc/34/81/64/473348164.db2.gz FYZAWXOLIJJBER-FQEVSTJZSA-N 2 2 339.487 2.612 40 0 EFABLP C[N@@H+]1C[C@@H](COCc2cccnc2)[C@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000096220239 473353992 /nfs/dbraw/zinc/35/39/92/473353992.db2.gz QNISCQVOBQJBPT-AZUAARDMSA-N 2 2 341.455 2.645 40 0 EFABLP C[N@H+]1C[C@@H](COCc2cccnc2)[C@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000096220239 473353997 /nfs/dbraw/zinc/35/39/97/473353997.db2.gz QNISCQVOBQJBPT-AZUAARDMSA-N 2 2 341.455 2.645 40 0 EFABLP C[NH+]1C[C@@H](COCc2cccnc2)[C@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096220239 473354006 /nfs/dbraw/zinc/35/40/06/473354006.db2.gz QNISCQVOBQJBPT-AZUAARDMSA-N 2 2 341.455 2.645 40 0 EFABLP C[NH+]1C[C@@H](COCc2cccnc2)[C@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096220239 473354010 /nfs/dbraw/zinc/35/40/10/473354010.db2.gz QNISCQVOBQJBPT-AZUAARDMSA-N 2 2 341.455 2.645 40 0 EFABLP COc1ccc(/C=C/c2cc[n+](C)cc2)cc1C[NH+]1CCOCC1 ZINC000026441351 472136085 /nfs/dbraw/zinc/13/60/85/472136085.db2.gz FHDVEJDIIMSTIP-ONEGZZNKSA-N 2 2 325.432 2.522 40 0 EFABLP Cc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@@H](Cn4cc[nH+]c4)CO3)C2)s1 ZINC000107738957 472979532 /nfs/dbraw/zinc/97/95/32/472979532.db2.gz CWWDOTJNCULINI-FUHWJXTLSA-N 2 2 347.484 2.561 40 0 EFABLP Cc1ccc(C[N@H+]2CCOC[C@@]3(C[C@@H](Cn4cc[nH+]c4)CO3)C2)s1 ZINC000107738957 472979535 /nfs/dbraw/zinc/97/95/35/472979535.db2.gz CWWDOTJNCULINI-FUHWJXTLSA-N 2 2 347.484 2.561 40 0 EFABLP Cc1ccc(N2CCC(NC(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)[nH+]c1 ZINC000096437426 473416600 /nfs/dbraw/zinc/41/66/00/473416600.db2.gz RZNQCIMIGGOBHV-GOSISDBHSA-N 2 2 344.503 2.738 40 0 EFABLP Cc1ccc(N2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)[nH+]c1 ZINC000096437426 473416605 /nfs/dbraw/zinc/41/66/05/473416605.db2.gz RZNQCIMIGGOBHV-GOSISDBHSA-N 2 2 344.503 2.738 40 0 EFABLP CC(C)[N@H+](C)CCNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000096439887 473419137 /nfs/dbraw/zinc/41/91/37/473419137.db2.gz GYXGQRAMSJKWEF-HNNXBMFYSA-N 2 2 329.448 2.573 40 0 EFABLP CC(C)[N@@H+](C)CCNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000096439887 473419141 /nfs/dbraw/zinc/41/91/41/473419141.db2.gz GYXGQRAMSJKWEF-HNNXBMFYSA-N 2 2 329.448 2.573 40 0 EFABLP CC(=O)N1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C(C)(C)C1 ZINC000192163178 473640500 /nfs/dbraw/zinc/64/05/00/473640500.db2.gz ICBBGXOCGIAPCW-UHFFFAOYSA-N 2 2 326.444 2.623 40 0 EFABLP CC(=O)N1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C(C)(C)C1 ZINC000192163178 473640502 /nfs/dbraw/zinc/64/05/02/473640502.db2.gz ICBBGXOCGIAPCW-UHFFFAOYSA-N 2 2 326.444 2.623 40 0 EFABLP Cc1ccc(F)cc1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000180104006 473799970 /nfs/dbraw/zinc/79/99/70/473799970.db2.gz CVQIZEUBAQZJJW-UHFFFAOYSA-N 2 2 330.451 2.927 40 0 EFABLP Cc1ccc(F)cc1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000180104006 473799973 /nfs/dbraw/zinc/79/99/73/473799973.db2.gz CVQIZEUBAQZJJW-UHFFFAOYSA-N 2 2 330.451 2.927 40 0 EFABLP CCOc1ncccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246847675 473982224 /nfs/dbraw/zinc/98/22/24/473982224.db2.gz CLFIDMRHBRIWGB-VQIMIIECSA-N 2 2 340.471 2.876 40 0 EFABLP CCOc1ncccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246847675 473982233 /nfs/dbraw/zinc/98/22/33/473982233.db2.gz CLFIDMRHBRIWGB-VQIMIIECSA-N 2 2 340.471 2.876 40 0 EFABLP Cc1noc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000195557229 474093963 /nfs/dbraw/zinc/09/39/63/474093963.db2.gz WYZVLHWUROFKSS-FGTMMUONSA-N 2 2 326.444 2.768 40 0 EFABLP Cc1noc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000195557229 474093970 /nfs/dbraw/zinc/09/39/70/474093970.db2.gz WYZVLHWUROFKSS-FGTMMUONSA-N 2 2 326.444 2.768 40 0 EFABLP Nc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc[nH+]1 ZINC000225615741 474230494 /nfs/dbraw/zinc/23/04/94/474230494.db2.gz GQYTZKAOFKNPDA-ZDUSSCGKSA-N 2 2 338.333 2.731 40 0 EFABLP Nc1cc(C[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc[nH+]1 ZINC000225615741 474230502 /nfs/dbraw/zinc/23/05/02/474230502.db2.gz GQYTZKAOFKNPDA-ZDUSSCGKSA-N 2 2 338.333 2.731 40 0 EFABLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000248916722 474484247 /nfs/dbraw/zinc/48/42/47/474484247.db2.gz ZZLFYXWBAQBSSA-MOPGFXCFSA-N 2 2 327.428 2.561 40 0 EFABLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000248916722 474484252 /nfs/dbraw/zinc/48/42/52/474484252.db2.gz ZZLFYXWBAQBSSA-MOPGFXCFSA-N 2 2 327.428 2.561 40 0 EFABLP Cn1ccc(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000240894825 474551463 /nfs/dbraw/zinc/55/14/63/474551463.db2.gz IQFDQTQVCUKZAR-CXAGYDPISA-N 2 2 336.842 2.995 40 0 EFABLP Cn1ccc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000240894825 474551468 /nfs/dbraw/zinc/55/14/68/474551468.db2.gz IQFDQTQVCUKZAR-CXAGYDPISA-N 2 2 336.842 2.995 40 0 EFABLP Cc1noc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000253370843 474730682 /nfs/dbraw/zinc/73/06/82/474730682.db2.gz WYZVLHWUROFKSS-RCCFBDPRSA-N 2 2 326.444 2.768 40 0 EFABLP Cc1noc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000253370843 474730691 /nfs/dbraw/zinc/73/06/91/474730691.db2.gz WYZVLHWUROFKSS-RCCFBDPRSA-N 2 2 326.444 2.768 40 0 EFABLP Cn1cc(C[N@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@H]3C2)cn1 ZINC000306132752 474808695 /nfs/dbraw/zinc/80/86/95/474808695.db2.gz LQZGHNKFJDDYIA-ZWKOTPCHSA-N 2 2 333.439 2.588 40 0 EFABLP Cn1cc(C[N@@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@H]3C2)cn1 ZINC000306132752 474808701 /nfs/dbraw/zinc/80/87/01/474808701.db2.gz LQZGHNKFJDDYIA-ZWKOTPCHSA-N 2 2 333.439 2.588 40 0 EFABLP Cn1cc(-c2c[nH+]c3n2C[C@H]2C[N@@H+](Cc4ccsc4)C[C@H]2C3)cn1 ZINC000306141488 474812181 /nfs/dbraw/zinc/81/21/81/474812181.db2.gz VXUVCJLCDWCHPP-GDBMZVCRSA-N 2 2 339.468 2.649 40 0 EFABLP Cn1cc(-c2c[nH+]c3n2C[C@H]2C[N@H+](Cc4ccsc4)C[C@H]2C3)cn1 ZINC000306141488 474812186 /nfs/dbraw/zinc/81/21/86/474812186.db2.gz VXUVCJLCDWCHPP-GDBMZVCRSA-N 2 2 339.468 2.649 40 0 EFABLP Cc1c[nH]c(-c2cc(C)nc([C@H]3CCC[N@H+]3C3CC[NH+](C)CC3)n2)n1 ZINC000257282645 474928958 /nfs/dbraw/zinc/92/89/58/474928958.db2.gz OUPZMXZHERBBSX-QGZVFWFLSA-N 2 2 340.475 2.715 40 0 EFABLP Cc1c[nH]c(-c2cc(C)nc([C@H]3CCC[N@@H+]3C3CC[NH+](C)CC3)n2)n1 ZINC000257282645 474928967 /nfs/dbraw/zinc/92/89/67/474928967.db2.gz OUPZMXZHERBBSX-QGZVFWFLSA-N 2 2 340.475 2.715 40 0 EFABLP CN(C)c1cc([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)cc[nH+]1 ZINC000257286697 474932616 /nfs/dbraw/zinc/93/26/16/474932616.db2.gz PMPQDQZOUWJMGL-QGZVFWFLSA-N 2 2 341.459 2.531 40 0 EFABLP CCc1[nH]c(CN2CC[N@H+](C)[C@H](c3ccccc3OC)C2)c(C)[nH+]1 ZINC000257290208 474933991 /nfs/dbraw/zinc/93/39/91/474933991.db2.gz QCANXEJEEXQRPI-KRWDZBQOSA-N 2 2 328.460 2.778 40 0 EFABLP CCc1[nH]c(CN2CC[N@@H+](C)[C@H](c3ccccc3OC)C2)c(C)[nH+]1 ZINC000257290208 474933999 /nfs/dbraw/zinc/93/39/99/474933999.db2.gz QCANXEJEEXQRPI-KRWDZBQOSA-N 2 2 328.460 2.778 40 0 EFABLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@H](O)c1ccccc1 ZINC000257293367 474936961 /nfs/dbraw/zinc/93/69/61/474936961.db2.gz QPEBSYCGLBCWIH-OAQYLSRUSA-N 2 2 340.467 2.684 40 0 EFABLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@H](O)c1ccccc1 ZINC000257293367 474936966 /nfs/dbraw/zinc/93/69/66/474936966.db2.gz QPEBSYCGLBCWIH-OAQYLSRUSA-N 2 2 340.467 2.684 40 0 EFABLP Cc1cncc(C[N@@H+]2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)c1 ZINC000257338056 474963265 /nfs/dbraw/zinc/96/32/65/474963265.db2.gz YVPDIZXOEBMNEK-QGZVFWFLSA-N 2 2 334.427 2.745 40 0 EFABLP Cc1cncc(C[N@H+]2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)c1 ZINC000257338056 474963275 /nfs/dbraw/zinc/96/32/75/474963275.db2.gz YVPDIZXOEBMNEK-QGZVFWFLSA-N 2 2 334.427 2.745 40 0 EFABLP Cc1cc(NC(=O)NC[C@H]2CCC[NH2+]C2)c[nH+]c1N1CCCC[C@H]1C ZINC000333201888 475868102 /nfs/dbraw/zinc/86/81/02/475868102.db2.gz YABIBABFVATISL-CVEARBPZSA-N 2 2 345.491 2.890 40 0 EFABLP Cc1cc(NC(=O)NC[C@@H]2CCC[NH2+]C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000333201892 475868769 /nfs/dbraw/zinc/86/87/69/475868769.db2.gz YABIBABFVATISL-JKSUJKDBSA-N 2 2 345.491 2.890 40 0 EFABLP c1cn(Cc2ccccc2)c(CCNc2cc(N3CCCC3)nc[nH+]2)[nH+]1 ZINC000302805948 476207782 /nfs/dbraw/zinc/20/77/82/476207782.db2.gz WXKPHKJQYBCCBY-UHFFFAOYSA-N 2 2 348.454 2.976 40 0 EFABLP c1cn(Cc2ccccc2)c(CCNc2cc(N3CCCC3)[nH+]cn2)[nH+]1 ZINC000302805948 476207787 /nfs/dbraw/zinc/20/77/87/476207787.db2.gz WXKPHKJQYBCCBY-UHFFFAOYSA-N 2 2 348.454 2.976 40 0 EFABLP CC[NH+](CC)CC[C@H]1CN(C(=O)c2cccc(O)c2)Cc2c[nH+]cn21 ZINC000585096292 479280224 /nfs/dbraw/zinc/28/02/24/479280224.db2.gz GCMUSEHEKWKADS-INIZCTEOSA-N 2 2 342.443 2.518 40 0 EFABLP C[N@@H+](Cc1cccnc1)C[C@H]1CCC2(C[NH+](Cc3ccoc3)C2)OC1 ZINC000585103458 479284398 /nfs/dbraw/zinc/28/43/98/479284398.db2.gz BHVYMCAUAVFSBY-GOSISDBHSA-N 2 2 341.455 2.788 40 0 EFABLP C[N@H+](Cc1cccnc1)C[C@H]1CCC2(C[NH+](Cc3ccoc3)C2)OC1 ZINC000585103458 479284403 /nfs/dbraw/zinc/28/44/03/479284403.db2.gz BHVYMCAUAVFSBY-GOSISDBHSA-N 2 2 341.455 2.788 40 0 EFABLP C[N@@H+](Cc1cccnc1)C[C@H]1CCC2(C[NH+](Cc3ccco3)C2)OC1 ZINC000585104001 479285235 /nfs/dbraw/zinc/28/52/35/479285235.db2.gz FLWZAQWAUZUIFF-GOSISDBHSA-N 2 2 341.455 2.788 40 0 EFABLP C[N@H+](Cc1cccnc1)C[C@H]1CCC2(C[NH+](Cc3ccco3)C2)OC1 ZINC000585104001 479285244 /nfs/dbraw/zinc/28/52/44/479285244.db2.gz FLWZAQWAUZUIFF-GOSISDBHSA-N 2 2 341.455 2.788 40 0 EFABLP CCc1[nH]c(C[N@@H+]2CC[C@](O)(COc3ccccc3C)C2)c(C)[nH+]1 ZINC000585277665 479306481 /nfs/dbraw/zinc/30/64/81/479306481.db2.gz NUEOXGRJPLYJGD-LJQANCHMSA-N 2 2 329.444 2.605 40 0 EFABLP CCc1[nH]c(C[N@H+]2CC[C@](O)(COc3ccccc3C)C2)c(C)[nH+]1 ZINC000585277665 479306486 /nfs/dbraw/zinc/30/64/86/479306486.db2.gz NUEOXGRJPLYJGD-LJQANCHMSA-N 2 2 329.444 2.605 40 0 EFABLP Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCCn3cc[nH+]c3)[C@H]2O)c1 ZINC000585288629 479309820 /nfs/dbraw/zinc/30/98/20/479309820.db2.gz FZCAPLLUHDATTB-IPMKNSEASA-N 2 2 329.444 2.532 40 0 EFABLP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc2[nH+]ccn2c1 ZINC000068389715 215304496 /nfs/dbraw/zinc/30/44/96/215304496.db2.gz HVNZKUBJBZXPBG-GOSISDBHSA-N 2 2 348.450 2.629 40 0 EFABLP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2[nH+]ccn2c1 ZINC000068389715 215304498 /nfs/dbraw/zinc/30/44/98/215304498.db2.gz HVNZKUBJBZXPBG-GOSISDBHSA-N 2 2 348.450 2.629 40 0 EFABLP C[C@H](C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1)N1CC[NH+](C)CC1 ZINC000183558226 235139188 /nfs/dbraw/zinc/13/91/88/235139188.db2.gz LTUVGCQXJXZCKZ-UZLBHIALSA-N 2 2 342.462 2.536 40 0 EFABLP Cc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000072350565 216162063 /nfs/dbraw/zinc/16/20/63/216162063.db2.gz LSIKAEWBUTWBDU-INIZCTEOSA-N 2 2 334.427 2.745 40 0 EFABLP Cc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000072350565 216162065 /nfs/dbraw/zinc/16/20/65/216162065.db2.gz LSIKAEWBUTWBDU-INIZCTEOSA-N 2 2 334.427 2.745 40 0 EFABLP CNc1ncc(C[N@@H+]2CCC[C@@H]2c2cccc(-n3cc[nH+]c3C)n2)cn1 ZINC000072366769 216171923 /nfs/dbraw/zinc/17/19/23/216171923.db2.gz GTRNURNYRWKFLD-QGZVFWFLSA-N 2 2 349.442 2.745 40 0 EFABLP CNc1ncc(C[N@H+]2CCC[C@@H]2c2cccc(-n3cc[nH+]c3C)n2)cn1 ZINC000072366769 216171925 /nfs/dbraw/zinc/17/19/25/216171925.db2.gz GTRNURNYRWKFLD-QGZVFWFLSA-N 2 2 349.442 2.745 40 0 EFABLP OCC[NH2+]CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000023263547 212364336 /nfs/dbraw/zinc/36/43/36/212364336.db2.gz GHWGBMOCCCMTKQ-UHFFFAOYSA-N 2 2 334.847 2.591 40 0 EFABLP CCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]c(C)cn3C)C2)cc1CO ZINC000257339521 240313439 /nfs/dbraw/zinc/31/34/39/240313439.db2.gz ZCBMWMFPHCJZOR-QGZVFWFLSA-N 2 2 343.471 2.999 40 0 EFABLP CCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]c(C)cn3C)C2)cc1CO ZINC000257339521 240313449 /nfs/dbraw/zinc/31/34/49/240313449.db2.gz ZCBMWMFPHCJZOR-QGZVFWFLSA-N 2 2 343.471 2.999 40 0 EFABLP C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCCn3cc[nH+]c3)cc2)C1 ZINC000020456316 212132179 /nfs/dbraw/zinc/13/21/79/212132179.db2.gz IHXDDBTYLYCPTA-KRWDZBQOSA-N 2 2 340.471 2.935 40 0 EFABLP C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCCn3cc[nH+]c3)cc2)C1 ZINC000020456316 212132181 /nfs/dbraw/zinc/13/21/81/212132181.db2.gz IHXDDBTYLYCPTA-KRWDZBQOSA-N 2 2 340.471 2.935 40 0 EFABLP Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)[nH+]1 ZINC000257227253 244203957 /nfs/dbraw/zinc/20/39/57/244203957.db2.gz FOIJERFKPXTDRE-MRXNPFEDSA-N 2 2 327.428 2.879 40 0 EFABLP Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)[nH+]1 ZINC000257227253 244203963 /nfs/dbraw/zinc/20/39/63/244203963.db2.gz FOIJERFKPXTDRE-MRXNPFEDSA-N 2 2 327.428 2.879 40 0 EFABLP COc1cccc(C[N@@H+]2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)c1 ZINC000257239724 244239730 /nfs/dbraw/zinc/23/97/30/244239730.db2.gz HQNHGPRNLITUTQ-GOSISDBHSA-N 2 2 326.444 2.884 40 0 EFABLP COc1cccc(C[N@H+]2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)c1 ZINC000257239724 244239737 /nfs/dbraw/zinc/23/97/37/244239737.db2.gz HQNHGPRNLITUTQ-GOSISDBHSA-N 2 2 326.444 2.884 40 0 EFABLP CCc1[nH]c(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)c(C)[nH+]1 ZINC000257254527 244279683 /nfs/dbraw/zinc/27/96/83/244279683.db2.gz KDMGGFFTYFXYNW-HKUYNNGSSA-N 2 2 347.434 2.824 40 0 EFABLP CCc1[nH]c(C[N@H+]2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)c(C)[nH+]1 ZINC000257254527 244279688 /nfs/dbraw/zinc/27/96/88/244279688.db2.gz KDMGGFFTYFXYNW-HKUYNNGSSA-N 2 2 347.434 2.824 40 0 EFABLP COc1ccccc1C[N@@H+]1CCO[C@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257270831 244376386 /nfs/dbraw/zinc/37/63/86/244376386.db2.gz MVVJHKIMFWYPCK-QGZVFWFLSA-N 2 2 327.428 2.506 40 0 EFABLP COc1ccccc1C[N@H+]1CCO[C@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257270831 244376391 /nfs/dbraw/zinc/37/63/91/244376391.db2.gz MVVJHKIMFWYPCK-QGZVFWFLSA-N 2 2 327.428 2.506 40 0 EFABLP COc1cccc(C[N@@H+]2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)c1 ZINC000019565456 212044005 /nfs/dbraw/zinc/04/40/05/212044005.db2.gz JHGAQIHMINMUIL-MRXNPFEDSA-N 2 2 338.455 2.511 40 0 EFABLP COc1cccc(C[N@H+]2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)c1 ZINC000019565456 212044007 /nfs/dbraw/zinc/04/40/07/212044007.db2.gz JHGAQIHMINMUIL-MRXNPFEDSA-N 2 2 338.455 2.511 40 0 EFABLP CCOc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019533368 212039042 /nfs/dbraw/zinc/03/90/42/212039042.db2.gz YNJACQZUAQAWPF-IBGZPJMESA-N 2 2 338.455 2.858 40 0 EFABLP CCOc1ccc(C[N@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019533368 212039045 /nfs/dbraw/zinc/03/90/45/212039045.db2.gz YNJACQZUAQAWPF-IBGZPJMESA-N 2 2 338.455 2.858 40 0 EFABLP CC[NH+](CC)C[C@H]1Cn2cc[nH+]c2CN(C(=O)c2cccs2)C1 ZINC000096188293 284735294 /nfs/dbraw/zinc/73/52/94/284735294.db2.gz WWOPOIVPFXRLFX-AWEZNQCLSA-N 2 2 332.473 2.559 40 0 EFABLP C[C@H]([NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)c1cnccn1 ZINC000095423466 218365765 /nfs/dbraw/zinc/36/57/65/218365765.db2.gz LGZNRORHJPWERO-AWEZNQCLSA-N 2 2 345.878 2.733 40 0 EFABLP COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccnc(-n3cc[nH+]c3)c1)CC2 ZINC000095435741 218378453 /nfs/dbraw/zinc/37/84/53/218378453.db2.gz WNXFHCICRMQOFD-SFHVURJKSA-N 2 2 334.423 2.923 40 0 EFABLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000330032894 258002549 /nfs/dbraw/zinc/00/25/49/258002549.db2.gz UAFWRUVIBPKRQZ-LPHOPBHVSA-N 2 2 340.471 2.828 40 0 EFABLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000330032894 258002550 /nfs/dbraw/zinc/00/25/50/258002550.db2.gz UAFWRUVIBPKRQZ-LPHOPBHVSA-N 2 2 340.471 2.828 40 0 EFABLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000330032894 258002551 /nfs/dbraw/zinc/00/25/51/258002551.db2.gz UAFWRUVIBPKRQZ-LPHOPBHVSA-N 2 2 340.471 2.828 40 0 EFABLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000330032894 258002552 /nfs/dbraw/zinc/00/25/52/258002552.db2.gz UAFWRUVIBPKRQZ-LPHOPBHVSA-N 2 2 340.471 2.828 40 0 EFABLP Cn1cc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cccs4)C3)C2)cn1 ZINC000096046973 473269219 /nfs/dbraw/zinc/26/92/19/473269219.db2.gz ZYLRBUYAAOTOQP-SFHVURJKSA-N 2 2 330.501 2.970 40 0 EFABLP Cn1cc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cccs4)C3)C2)cn1 ZINC000096046973 473269223 /nfs/dbraw/zinc/26/92/23/473269223.db2.gz ZYLRBUYAAOTOQP-SFHVURJKSA-N 2 2 330.501 2.970 40 0 EFABLP Cn1cc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cccs4)C3)C2)cn1 ZINC000096046973 473269230 /nfs/dbraw/zinc/26/92/30/473269230.db2.gz ZYLRBUYAAOTOQP-SFHVURJKSA-N 2 2 330.501 2.970 40 0 EFABLP Cn1cc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)cn1 ZINC000096046973 473269235 /nfs/dbraw/zinc/26/92/35/473269235.db2.gz ZYLRBUYAAOTOQP-SFHVURJKSA-N 2 2 330.501 2.970 40 0 EFABLP COc1ccc(C[N@@H+]2CCC[C@]3(C[C@H](n4cc[nH+]c4)CO3)C2)cc1 ZINC000096048560 473271586 /nfs/dbraw/zinc/27/15/86/473271586.db2.gz ZSUPZBRVNNTAMD-HKUYNNGSSA-N 2 2 327.428 2.888 40 0 EFABLP COc1ccc(C[N@H+]2CCC[C@]3(C[C@H](n4cc[nH+]c4)CO3)C2)cc1 ZINC000096048560 473271591 /nfs/dbraw/zinc/27/15/91/473271591.db2.gz ZSUPZBRVNNTAMD-HKUYNNGSSA-N 2 2 327.428 2.888 40 0 EFABLP Cn1cc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4cccc[nH+]4)C3)C2)cn1 ZINC000096051146 473276989 /nfs/dbraw/zinc/27/69/89/473276989.db2.gz NZLOFNMMUHBNHB-KRWDZBQOSA-N 2 2 347.413 2.553 40 0 EFABLP Cn1cc(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4cccc[nH+]4)C3)C2)cn1 ZINC000096051146 473276991 /nfs/dbraw/zinc/27/69/91/473276991.db2.gz NZLOFNMMUHBNHB-KRWDZBQOSA-N 2 2 347.413 2.553 40 0 EFABLP CC(C)n1nc(COCC[NH+](C)C)c2c1C[N@H+](Cc1ccco1)CC2 ZINC000096085017 473293783 /nfs/dbraw/zinc/29/37/83/473293783.db2.gz VTUWGVMETQEGNM-UHFFFAOYSA-N 2 2 346.475 2.694 40 0 EFABLP CC(C)n1nc(COCC[NH+](C)C)c2c1C[N@@H+](Cc1ccco1)CC2 ZINC000096085017 473293789 /nfs/dbraw/zinc/29/37/89/473293789.db2.gz VTUWGVMETQEGNM-UHFFFAOYSA-N 2 2 346.475 2.694 40 0 EFABLP Cn1ccnc1C[NH+]1CCC2(CC[NH+](Cc3nccs3)CC2)CC1 ZINC000096158398 473317410 /nfs/dbraw/zinc/31/74/10/473317410.db2.gz IJWUQBKLTRVERW-UHFFFAOYSA-N 2 2 345.516 2.755 40 0 EFABLP CC[NH+](CC)Cc1cnc2n1CC[N@@H+](Cc1csc(C)n1)CC2 ZINC000096196826 473333250 /nfs/dbraw/zinc/33/32/50/473333250.db2.gz AVJDUFMRXDGGLD-UHFFFAOYSA-N 2 2 333.505 2.548 40 0 EFABLP CC[NH+](CC)Cc1cnc2n1CC[N@H+](Cc1csc(C)n1)CC2 ZINC000096196826 473333256 /nfs/dbraw/zinc/33/32/56/473333256.db2.gz AVJDUFMRXDGGLD-UHFFFAOYSA-N 2 2 333.505 2.548 40 0 EFABLP Cc1ncsc1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccsc3)CCO[C@@H]2C1 ZINC000096207374 473342586 /nfs/dbraw/zinc/34/25/86/473342586.db2.gz WPCNZUCJEIRZSI-JKSUJKDBSA-N 2 2 349.525 2.846 40 0 EFABLP Cc1ncsc1C[N@H+]1C[C@@H]2C[NH+](Cc3ccsc3)CCO[C@@H]2C1 ZINC000096207374 473342594 /nfs/dbraw/zinc/34/25/94/473342594.db2.gz WPCNZUCJEIRZSI-JKSUJKDBSA-N 2 2 349.525 2.846 40 0 EFABLP Cc1ncsc1C[NH+]1C[C@@H]2C[N@H+](Cc3ccsc3)CCO[C@@H]2C1 ZINC000096207374 473342604 /nfs/dbraw/zinc/34/26/04/473342604.db2.gz WPCNZUCJEIRZSI-JKSUJKDBSA-N 2 2 349.525 2.846 40 0 EFABLP Cc1ncsc1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccsc3)CCO[C@@H]2C1 ZINC000096207374 473342611 /nfs/dbraw/zinc/34/26/11/473342611.db2.gz WPCNZUCJEIRZSI-JKSUJKDBSA-N 2 2 349.525 2.846 40 0 EFABLP c1csc(C[N@H+]2CCC[C@@]3(CCN(CC[NH+]4CCCC4)C3)C2)n1 ZINC000096215841 473346724 /nfs/dbraw/zinc/34/67/24/473346724.db2.gz XTMMXPHGKUSDQE-SFHVURJKSA-N 2 2 334.533 2.527 40 0 EFABLP c1csc(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+]4CCCC4)C3)C2)n1 ZINC000096215841 473346728 /nfs/dbraw/zinc/34/67/28/473346728.db2.gz XTMMXPHGKUSDQE-SFHVURJKSA-N 2 2 334.533 2.527 40 0 EFABLP c1ccc(N2CCOC[C@]3(CCC[N@@H+](Cc4ccncc4)C3)C2)[nH+]c1 ZINC000096229056 473359432 /nfs/dbraw/zinc/35/94/32/473359432.db2.gz DHOJHVAMWYXOBG-FQEVSTJZSA-N 2 2 338.455 2.596 40 0 EFABLP c1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4ccncc4)C3)C2)[nH+]c1 ZINC000096229056 473359437 /nfs/dbraw/zinc/35/94/37/473359437.db2.gz DHOJHVAMWYXOBG-FQEVSTJZSA-N 2 2 338.455 2.596 40 0 EFABLP COc1ccc(C[N@@H+]2CCc3c(C[NH+]4CCCC4)nn(C)c3C2)cc1 ZINC000096255905 473366909 /nfs/dbraw/zinc/36/69/09/473366909.db2.gz PUWAZVZSUPCUBD-UHFFFAOYSA-N 2 2 340.471 2.583 40 0 EFABLP COc1ccc(C[N@H+]2CCc3c(C[NH+]4CCCC4)nn(C)c3C2)cc1 ZINC000096255905 473366913 /nfs/dbraw/zinc/36/69/13/473366913.db2.gz PUWAZVZSUPCUBD-UHFFFAOYSA-N 2 2 340.471 2.583 40 0 EFABLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000022038302 472008798 /nfs/dbraw/zinc/00/87/98/472008798.db2.gz FZYGLXLTKSKKPV-CMKODMSKSA-N 2 2 332.488 2.515 40 0 EFABLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000022038302 472008801 /nfs/dbraw/zinc/00/88/01/472008801.db2.gz FZYGLXLTKSKKPV-CMKODMSKSA-N 2 2 332.488 2.515 40 0 EFABLP C[C@@H](O)C[NH2+]CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000022075048 472009946 /nfs/dbraw/zinc/00/99/46/472009946.db2.gz JUGCGDQKPYLCRH-OAHLLOKOSA-N 2 2 348.874 2.979 40 0 EFABLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000097377016 472494809 /nfs/dbraw/zinc/49/48/09/472494809.db2.gz ASTWQBIAIVDVTB-KRWDZBQOSA-N 2 2 339.487 2.870 40 0 EFABLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000097377016 472494815 /nfs/dbraw/zinc/49/48/15/472494815.db2.gz ASTWQBIAIVDVTB-KRWDZBQOSA-N 2 2 339.487 2.870 40 0 EFABLP Clc1ccc(CN2CC[NH+](CCC[NH+]3CCCCC3)CC2)nc1 ZINC000119062217 472522645 /nfs/dbraw/zinc/52/26/45/472522645.db2.gz JZRRCPCYRNQNRK-UHFFFAOYSA-N 2 2 336.911 2.729 40 0 EFABLP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(F)cc1 ZINC000090909247 472664772 /nfs/dbraw/zinc/66/47/72/472664772.db2.gz NCYXVGBDYRZVDG-FQEVSTJZSA-N 2 2 343.446 2.682 40 0 EFABLP COc1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)cc1 ZINC000107731394 472980653 /nfs/dbraw/zinc/98/06/53/472980653.db2.gz ZSUPZBRVNNTAMD-MJGOQNOKSA-N 2 2 327.428 2.888 40 0 EFABLP COc1ccc(C[N@H+]2CCC[C@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)cc1 ZINC000107731394 472980666 /nfs/dbraw/zinc/98/06/66/472980666.db2.gz ZSUPZBRVNNTAMD-MJGOQNOKSA-N 2 2 327.428 2.888 40 0 EFABLP Cc1ccc(N2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC2)[nH+]c1 ZINC000096437425 473416346 /nfs/dbraw/zinc/41/63/46/473416346.db2.gz RZNQCIMIGGOBHV-SFHVURJKSA-N 2 2 344.503 2.738 40 0 EFABLP Cc1ccc(N2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC2)[nH+]c1 ZINC000096437425 473416351 /nfs/dbraw/zinc/41/63/51/473416351.db2.gz RZNQCIMIGGOBHV-SFHVURJKSA-N 2 2 344.503 2.738 40 0 EFABLP Cc1cc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)no1 ZINC000096490216 473446723 /nfs/dbraw/zinc/44/67/23/473446723.db2.gz OBRSTLRHEQUNOB-UHFFFAOYSA-N 2 2 334.851 2.678 40 0 EFABLP Cc1cc(Cl)cc(C)c1C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000096493565 473448743 /nfs/dbraw/zinc/44/87/43/473448743.db2.gz JEJYAHVKQIZCAZ-UHFFFAOYSA-N 2 2 337.895 2.599 40 0 EFABLP Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2nc3c(cnn3C)c(N)[nH+]2)cc1 ZINC000225512983 474219529 /nfs/dbraw/zinc/21/95/29/474219529.db2.gz BCVBUXVVASCCBW-NSHDSACASA-N 2 2 348.414 2.613 40 0 EFABLP CC(C)(C)OC(=O)N1C[C@H]2C[C@H]([NH3+])C[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000265540589 474248383 /nfs/dbraw/zinc/24/83/83/474248383.db2.gz IFWGOUIKYKUCBK-BJWYYQGGSA-N 2 2 331.460 2.598 40 0 EFABLP CC(C)(C)OC(=O)N1C[C@H]2C[C@H]([NH3+])C[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000265540589 474248388 /nfs/dbraw/zinc/24/83/88/474248388.db2.gz IFWGOUIKYKUCBK-BJWYYQGGSA-N 2 2 331.460 2.598 40 0 EFABLP Fc1cccc(CNc2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)c1 ZINC000228931071 474251206 /nfs/dbraw/zinc/25/12/06/474251206.db2.gz CXGHYHQYAPMOMX-UHFFFAOYSA-N 2 2 326.379 2.502 40 0 EFABLP c1ccc(N2CC[NH+](C3CC[NH+](C[C@H]4CCCCO4)CC3)CC2)cc1 ZINC000252499125 474682172 /nfs/dbraw/zinc/68/21/72/474682172.db2.gz RVTPMKXABCTDMO-OAQYLSRUSA-N 2 2 343.515 2.842 40 0 EFABLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C)C2 ZINC000252586445 474699096 /nfs/dbraw/zinc/69/90/96/474699096.db2.gz QCRFSTKKDNANQQ-OWCLPIDISA-N 2 2 348.491 2.884 40 0 EFABLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000253369908 474728583 /nfs/dbraw/zinc/72/85/83/474728583.db2.gz JRPUQTPPRBRAKD-LSTHTHJFSA-N 2 2 337.467 2.885 40 0 EFABLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000253369908 474728590 /nfs/dbraw/zinc/72/85/90/474728590.db2.gz JRPUQTPPRBRAKD-LSTHTHJFSA-N 2 2 337.467 2.885 40 0 EFABLP Cn1cc(C[N@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306132751 474809030 /nfs/dbraw/zinc/80/90/30/474809030.db2.gz LQZGHNKFJDDYIA-ROUUACIJSA-N 2 2 333.439 2.588 40 0 EFABLP Cn1cc(C[N@@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306132751 474809037 /nfs/dbraw/zinc/80/90/37/474809037.db2.gz LQZGHNKFJDDYIA-ROUUACIJSA-N 2 2 333.439 2.588 40 0 EFABLP CCc1[nH]c(C[N@@H+]2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)c(C)[nH+]1 ZINC000257287544 474933115 /nfs/dbraw/zinc/93/31/15/474933115.db2.gz PQKGQKBPZXDAIP-IEBWSBKVSA-N 2 2 329.444 2.685 40 0 EFABLP CCc1[nH]c(C[N@H+]2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)c(C)[nH+]1 ZINC000257287544 474933124 /nfs/dbraw/zinc/93/31/24/474933124.db2.gz PQKGQKBPZXDAIP-IEBWSBKVSA-N 2 2 329.444 2.685 40 0 EFABLP Cc1cc(CC2CC[NH+](Cc3cnc(N(C)C)nc3)CC2)cc[nH+]1 ZINC000257293873 474936490 /nfs/dbraw/zinc/93/64/90/474936490.db2.gz QROGXHABXBCZJM-UHFFFAOYSA-N 2 2 325.460 2.701 40 0 EFABLP Cc1ncsc1C[N@@H+]1CCO[C@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257319990 474950926 /nfs/dbraw/zinc/95/09/26/474950926.db2.gz VUWXRSAUDWSJMU-INIZCTEOSA-N 2 2 332.473 2.794 40 0 EFABLP Cc1ncsc1C[N@H+]1CCO[C@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257319990 474950933 /nfs/dbraw/zinc/95/09/33/474950933.db2.gz VUWXRSAUDWSJMU-INIZCTEOSA-N 2 2 332.473 2.794 40 0 EFABLP C[NH+]1CCC([N@@H+]2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)CC1 ZINC000257320946 474952597 /nfs/dbraw/zinc/95/25/97/474952597.db2.gz VZKJJLGWPYPMMF-SFTDATJTSA-N 2 2 344.499 2.921 40 0 EFABLP C[NH+]1CCC([N@H+]2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)CC1 ZINC000257320946 474952603 /nfs/dbraw/zinc/95/26/03/474952603.db2.gz VZKJJLGWPYPMMF-SFTDATJTSA-N 2 2 344.499 2.921 40 0 EFABLP CCc1[nH]c(C[N@@H+]2CCC[C@H]2c2ccnc(CNC(C)=O)c2)c(C)[nH+]1 ZINC000257329237 474956782 /nfs/dbraw/zinc/95/67/82/474956782.db2.gz XJAVDPSSBRFSEK-SFHVURJKSA-N 2 2 341.459 2.649 40 0 EFABLP CCc1[nH]c(C[N@H+]2CCC[C@H]2c2ccnc(CNC(C)=O)c2)c(C)[nH+]1 ZINC000257329237 474956787 /nfs/dbraw/zinc/95/67/87/474956787.db2.gz XJAVDPSSBRFSEK-SFHVURJKSA-N 2 2 341.459 2.649 40 0 EFABLP O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000585289169 479309501 /nfs/dbraw/zinc/30/95/01/479309501.db2.gz FSFABAKGGCKNAD-RCCFBDPRSA-N 2 2 338.879 2.686 40 0 EFABLP Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCCCC2)[C@H]1O ZINC000585289140 479309897 /nfs/dbraw/zinc/30/98/97/479309897.db2.gz MWIDCGSXAVBGNE-DFQSSKMNSA-N 2 2 332.488 2.731 40 0 EFABLP CCCn1c(C)nnc1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000159141468 528815088 /nfs/dbraw/zinc/81/50/88/528815088.db2.gz LDQZVARNQYJOEQ-INIZCTEOSA-N 2 2 328.464 2.634 40 0 EFABLP CCCn1c(C)nnc1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000159141468 528815090 /nfs/dbraw/zinc/81/50/90/528815090.db2.gz LDQZVARNQYJOEQ-INIZCTEOSA-N 2 2 328.464 2.634 40 0 EFABLP