smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)n(C[C@H](C)NC(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)n1 ZINC000426697553 231253394 /nfs/dbraw/zinc/25/33/94/231253394.db2.gz OGDHFIFFPMJTOA-KRWDZBQOSA-N 1 2 380.496 2.975 50 0 GFAALO CCCNC(=O)CSc1nnc([C@H](CC)[NH+](C)C)n1Cc1ccccc1 ZINC000004494478 204047664 /nfs/dbraw/zinc/04/76/64/204047664.db2.gz FSVVXFXMSJGYOD-INIZCTEOSA-N 1 2 375.542 2.957 50 0 GFAALO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000005059744 204108289 /nfs/dbraw/zinc/10/82/89/204108289.db2.gz GDJBOBHRRBPJPD-CQSZACIVSA-N 1 2 390.281 2.960 50 0 GFAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2sccc2C(N)=O)c1 ZINC000007718323 204247412 /nfs/dbraw/zinc/24/74/12/204247412.db2.gz XWEFMZOVDNIPSF-OAHLLOKOSA-N 1 2 389.477 2.640 50 0 GFAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2sccc2C(N)=O)c1 ZINC000007718323 204247415 /nfs/dbraw/zinc/24/74/15/204247415.db2.gz XWEFMZOVDNIPSF-OAHLLOKOSA-N 1 2 389.477 2.640 50 0 GFAALO CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)COc2ccc3ccccc3c2)CC1 ZINC000007951614 204254775 /nfs/dbraw/zinc/25/47/75/204254775.db2.gz YMSZEFUOJNPCBJ-UHFFFAOYSA-N 1 2 397.519 2.668 50 0 GFAALO CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)COc2ccc3ccccc3c2)CC1 ZINC000007951614 204254780 /nfs/dbraw/zinc/25/47/80/204254780.db2.gz YMSZEFUOJNPCBJ-UHFFFAOYSA-N 1 2 397.519 2.668 50 0 GFAALO O=C(c1ccc(C[S@@](=O)c2ccccc2)o1)N1CCN(c2cccc[nH+]2)CC1 ZINC000009731319 204321520 /nfs/dbraw/zinc/32/15/20/204321520.db2.gz FULVIRDKTGLESF-NDEPHWFRSA-N 1 2 395.484 2.945 50 0 GFAALO CCn1ccnc1CN(C)C(=O)C1([N@H+]2C[C@@H](C)O[C@@H](C)C2)Cc2ccccc2C1 ZINC000011664624 204350074 /nfs/dbraw/zinc/35/00/74/204350074.db2.gz OANVFGVWYBPWHL-HDICACEKSA-N 1 2 396.535 2.508 50 0 GFAALO CCn1ccnc1CN(C)C(=O)C1([N@@H+]2C[C@@H](C)O[C@@H](C)C2)Cc2ccccc2C1 ZINC000011664624 204350077 /nfs/dbraw/zinc/35/00/77/204350077.db2.gz OANVFGVWYBPWHL-HDICACEKSA-N 1 2 396.535 2.508 50 0 GFAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000010989695 204341804 /nfs/dbraw/zinc/34/18/04/204341804.db2.gz JVAQZLPRRLNYDH-UHFFFAOYSA-N 1 2 397.866 2.892 50 0 GFAALO COc1ccc2c(c1)CCCN2C(=O)C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000011225127 204344513 /nfs/dbraw/zinc/34/45/13/204344513.db2.gz YEUGRSQXGPJKSI-SFHVURJKSA-N 1 2 382.460 2.746 50 0 GFAALO COc1ccc2c(c1)CCCN2C(=O)C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000011225127 204344516 /nfs/dbraw/zinc/34/45/16/204344516.db2.gz YEUGRSQXGPJKSI-SFHVURJKSA-N 1 2 382.460 2.746 50 0 GFAALO Cc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCCc1ccccc1Cl ZINC000012314414 204394682 /nfs/dbraw/zinc/39/46/82/204394682.db2.gz AGZNCNFVLKKAEN-FQEVSTJZSA-N 1 2 399.922 2.698 50 0 GFAALO Cc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCCc1ccccc1Cl ZINC000012314414 204394685 /nfs/dbraw/zinc/39/46/85/204394685.db2.gz AGZNCNFVLKKAEN-FQEVSTJZSA-N 1 2 399.922 2.698 50 0 GFAALO COc1ccc([C@H](NC(=O)[C@H]2COc3ccccc3C2)c2[nH+]ccn2C)cc1 ZINC000012549725 204421486 /nfs/dbraw/zinc/42/14/86/204421486.db2.gz VBANXNWSQNSAOE-XLIONFOSSA-N 1 2 377.444 2.886 50 0 GFAALO O=C1CCCN1c1ccc(N2CCC([NH2+]Cc3noc(C4CC4)n3)CC2)cc1 ZINC000019852377 204690442 /nfs/dbraw/zinc/69/04/42/204690442.db2.gz WEESCFSKPQKGQP-UHFFFAOYSA-N 1 2 381.480 2.832 50 0 GFAALO COc1cc(NC(=O)CN2CC[NH+](Cc3ccsc3)CC2)cc(OC)c1 ZINC000023375716 204805098 /nfs/dbraw/zinc/80/50/98/204805098.db2.gz LFQPEIIUUQRPMN-UHFFFAOYSA-N 1 2 375.494 2.522 50 0 GFAALO COc1ccc(-c2nnsc2C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000036365597 205015083 /nfs/dbraw/zinc/01/50/83/205015083.db2.gz DVZLRVTXOHFIKU-UHFFFAOYSA-N 1 2 381.461 2.571 50 0 GFAALO COCC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2nnc(C(C)(C)C)o2)CC1 ZINC000071890533 205029372 /nfs/dbraw/zinc/02/93/72/205029372.db2.gz VOVMRSRNKQHKTI-KRWDZBQOSA-N 1 2 392.544 2.997 50 0 GFAALO O=C(C[NH+]1CCN(CCOc2c(Cl)cccc2Cl)CC1)N1CCCC1 ZINC000039987600 205046030 /nfs/dbraw/zinc/04/60/30/205046030.db2.gz XJNPWVOAQJWRQX-UHFFFAOYSA-N 1 2 386.323 2.612 50 0 GFAALO COc1cc(-c2nn3c(C[NH+]4CCCCC4)nnc3s2)cc(OC)c1OC ZINC000040285050 205061238 /nfs/dbraw/zinc/06/12/38/205061238.db2.gz GOOGDMQMYZYXFW-UHFFFAOYSA-N 1 2 389.481 2.865 50 0 GFAALO CC1(C)Cc2c(sc3[nH]c(C[N@H+](CCO)Cc4ccccc4)nc(=O)c23)CO1 ZINC000040283582 205061532 /nfs/dbraw/zinc/06/15/32/205061532.db2.gz MPKWPASLBXKNJY-UHFFFAOYSA-N 1 2 399.516 2.830 50 0 GFAALO CC1(C)Cc2c(sc3[nH]c(C[N@@H+](CCO)Cc4ccccc4)nc(=O)c23)CO1 ZINC000040283582 205061535 /nfs/dbraw/zinc/06/15/35/205061535.db2.gz MPKWPASLBXKNJY-UHFFFAOYSA-N 1 2 399.516 2.830 50 0 GFAALO O=C(CCc1ccccc1)NC1CC[NH+](CC(=O)NCc2cccs2)CC1 ZINC000047894590 205111616 /nfs/dbraw/zinc/11/16/16/205111616.db2.gz YNVFZXZGRUEWOQ-UHFFFAOYSA-N 1 2 385.533 2.578 50 0 GFAALO O=C(CCS(=O)(=O)C1CCCC1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000048090937 205112759 /nfs/dbraw/zinc/11/27/59/205112759.db2.gz VBYOGEYJWYIFCP-MRXNPFEDSA-N 1 2 384.567 2.749 50 0 GFAALO Cc1ccnc(NC(=O)C2CC[NH+](Cn3c(=O)sc4c3CCCC4)CC2)c1 ZINC000058182279 205166983 /nfs/dbraw/zinc/16/69/83/205166983.db2.gz NJBRUHQPSISEGD-UHFFFAOYSA-N 1 2 386.521 2.800 50 0 GFAALO CN(C)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)c(C(F)(F)F)c1 ZINC000060341564 205180480 /nfs/dbraw/zinc/18/04/80/205180480.db2.gz CXUZLTOUSCGKOW-UHFFFAOYSA-N 1 2 376.342 2.999 50 0 GFAALO Cc1ccc(Nc2cc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)[nH+]c(C)n2)cc1 ZINC000067622482 205252826 /nfs/dbraw/zinc/25/28/26/205252826.db2.gz WAVGOWTWKXOQDX-SFHVURJKSA-N 1 2 381.480 2.665 50 0 GFAALO Cc1cc(NC(=O)C[N@H+]2CC=C(c3cnn(-c4ncccc4C)c3)CC2)no1 ZINC000067676208 205255109 /nfs/dbraw/zinc/25/51/09/205255109.db2.gz MQAPNPHKMQONMJ-UHFFFAOYSA-N 1 2 378.436 2.600 50 0 GFAALO Cc1cc(NC(=O)C[N@@H+]2CC=C(c3cnn(-c4ncccc4C)c3)CC2)no1 ZINC000067676208 205255112 /nfs/dbraw/zinc/25/51/12/205255112.db2.gz MQAPNPHKMQONMJ-UHFFFAOYSA-N 1 2 378.436 2.600 50 0 GFAALO CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)c1cc(C2CC2)no1 ZINC000067713699 205257561 /nfs/dbraw/zinc/25/75/61/205257561.db2.gz YACKPNUEIURXFZ-UHFFFAOYSA-N 1 2 377.448 2.951 50 0 GFAALO CCN(C)c1cc(N2Cc3cnc(Cc4ccc(OC)cc4)nc3C2)nc[nH+]1 ZINC000067855248 205264258 /nfs/dbraw/zinc/26/42/58/205264258.db2.gz GDUJYHMMRSRHGI-UHFFFAOYSA-N 1 2 376.464 2.842 50 0 GFAALO CCN(C)c1cc(N2Cc3cnc(Cc4ccc(OC)cc4)nc3C2)[nH+]cn1 ZINC000067855248 205264262 /nfs/dbraw/zinc/26/42/62/205264262.db2.gz GDUJYHMMRSRHGI-UHFFFAOYSA-N 1 2 376.464 2.842 50 0 GFAALO CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)c1cc(C2CC2)on1 ZINC000067878638 205265772 /nfs/dbraw/zinc/26/57/72/205265772.db2.gz WJHMZALSHMIBMB-UHFFFAOYSA-N 1 2 377.448 2.951 50 0 GFAALO CCc1ccc(C(=O)N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)cc1 ZINC000072115828 205304794 /nfs/dbraw/zinc/30/47/94/205304794.db2.gz CIRCVWYFUWSMBZ-UHFFFAOYSA-N 1 2 379.508 2.992 50 0 GFAALO CCc1ccc(C(=O)N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)cc1 ZINC000072115828 205304799 /nfs/dbraw/zinc/30/47/99/205304799.db2.gz CIRCVWYFUWSMBZ-UHFFFAOYSA-N 1 2 379.508 2.992 50 0 GFAALO Cc1nn2c(nc(C[N@@H+]3CCC[C@H](C(=O)CCc4ccccc4)C3)cc2=O)[nH]1 ZINC000072135563 205308570 /nfs/dbraw/zinc/30/85/70/205308570.db2.gz UIIDXHUESPGNOD-KRWDZBQOSA-N 1 2 379.464 2.552 50 0 GFAALO Cc1nn2c(nc(C[N@H+]3CCC[C@H](C(=O)CCc4ccccc4)C3)cc2=O)[nH]1 ZINC000072135563 205308575 /nfs/dbraw/zinc/30/85/75/205308575.db2.gz UIIDXHUESPGNOD-KRWDZBQOSA-N 1 2 379.464 2.552 50 0 GFAALO Cc1ccn(-c2cc(NCCNC(=O)c3ccc(C(F)(F)F)cc3)[nH+]cn2)n1 ZINC000072441507 205353376 /nfs/dbraw/zinc/35/33/76/205353376.db2.gz GDJGIPUXBNIEGI-UHFFFAOYSA-N 1 2 390.369 2.831 50 0 GFAALO Cc1[nH+]c2ccccc2n1CCC(=O)N(C)Cc1nc(-c2ccccn2)no1 ZINC000082091488 205385611 /nfs/dbraw/zinc/38/56/11/205385611.db2.gz CZBUPKBIDIHAQN-UHFFFAOYSA-N 1 2 376.420 2.838 50 0 GFAALO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+](C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000106032712 205653894 /nfs/dbraw/zinc/65/38/94/205653894.db2.gz SSWIKTDWZHDCGS-BEVDRBHNSA-N 1 2 396.487 2.961 50 0 GFAALO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+](C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000106032712 205653900 /nfs/dbraw/zinc/65/39/00/205653900.db2.gz SSWIKTDWZHDCGS-BEVDRBHNSA-N 1 2 396.487 2.961 50 0 GFAALO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2ccn(-c3ccc(F)cc3F)n2)CC1 ZINC000252499164 206140244 /nfs/dbraw/zinc/14/02/44/206140244.db2.gz RWJQQKXSJPGMFV-IBGZPJMESA-N 1 2 387.434 2.830 50 0 GFAALO COc1cccc(C(=O)N2CC[NH+](Cc3cc(-c4ccncc4)no3)CC2)c1 ZINC000244795666 206131474 /nfs/dbraw/zinc/13/14/74/206131474.db2.gz RLHQBAVRSDNVIG-UHFFFAOYSA-N 1 2 378.432 2.703 50 0 GFAALO Cn1c(C[NH+](C)C)nnc1[C@H]1C[C@@H](NC(=O)C2(c3ccccc3)CCCC2)C1 ZINC000244787742 206131570 /nfs/dbraw/zinc/13/15/70/206131570.db2.gz QCWKZFZYLWZTAE-MAEOIBBWSA-N 1 2 381.524 2.751 50 0 GFAALO COc1cccc(C[N@@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](CCC(=O)[O-])C2)c1OC ZINC000299789910 206192483 /nfs/dbraw/zinc/19/24/83/206192483.db2.gz ADRHKSMYJHDUOB-FUHWJXTLSA-N 1 2 376.497 2.855 50 0 GFAALO COc1cccc(C[N@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](CCC(=O)[O-])C2)c1OC ZINC000299789910 206192485 /nfs/dbraw/zinc/19/24/85/206192485.db2.gz ADRHKSMYJHDUOB-FUHWJXTLSA-N 1 2 376.497 2.855 50 0 GFAALO Cc1[nH+]cn(-c2cc(N3CCN(C(=O)c4cccc(C)c4)CC3)ncn2)c1C ZINC000072441636 136171014 /nfs/dbraw/zinc/17/10/14/136171014.db2.gz VUQHDPHZQCNDNE-UHFFFAOYSA-N 1 2 376.464 2.550 50 0 GFAALO COc1ccc(C[N@@H+]2CCN(c3ncccc3Cl)C[C@@H]2CCO)c(F)c1 ZINC000072453855 136171076 /nfs/dbraw/zinc/17/10/76/136171076.db2.gz OLFDFEDIZZZTPY-HNNXBMFYSA-N 1 2 379.863 2.956 50 0 GFAALO COc1ccc(C[N@H+]2CCN(c3ncccc3Cl)C[C@@H]2CCO)c(F)c1 ZINC000072453855 136171077 /nfs/dbraw/zinc/17/10/77/136171077.db2.gz OLFDFEDIZZZTPY-HNNXBMFYSA-N 1 2 379.863 2.956 50 0 GFAALO Nc1cc(N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C2CC2)C3)[nH+]cn1 ZINC000091586181 136176643 /nfs/dbraw/zinc/17/66/43/136176643.db2.gz LLHFFQYLYLDXBP-SFHVURJKSA-N 1 2 377.492 2.824 50 0 GFAALO C[NH+](C)CCn1cc[nH+]c1[C@@H]1CCCN(c2ccc(Cl)c(C(=O)[O-])n2)C1 ZINC000095530837 136181829 /nfs/dbraw/zinc/18/18/29/136181829.db2.gz OGOYKKHELPNWEU-CYBMUJFWSA-N 1 2 377.876 2.575 50 0 GFAALO Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCCN(C(=O)c2cccc(F)c2)C1 ZINC000426444700 534686172 /nfs/dbraw/zinc/68/61/72/534686172.db2.gz VOVIQVRREVUVRK-QGZVFWFLSA-N 1 2 385.487 2.960 50 0 GFAALO O=S(=O)(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(Cl)cc1 ZINC000022608779 551118262 /nfs/dbraw/zinc/11/82/62/551118262.db2.gz KDJBJWOMVSRICY-KRWDZBQOSA-N 1 2 380.897 2.519 50 0 GFAALO O=S(=O)(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(Cl)cc1 ZINC000022608779 551118263 /nfs/dbraw/zinc/11/82/63/551118263.db2.gz KDJBJWOMVSRICY-KRWDZBQOSA-N 1 2 380.897 2.519 50 0 GFAALO O=C(c1ccccc1)N1CCC(c2nnc(Cn3cc[nH+]c3)n2C2CC2)CC1 ZINC000096133604 570211950 /nfs/dbraw/zinc/21/19/50/570211950.db2.gz WLDIJYCAAJKBTL-UHFFFAOYSA-N 1 2 376.464 2.878 50 0 GFAALO CCn1c(Cn2cc[nH+]c2)nnc1C1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000096152799 570215692 /nfs/dbraw/zinc/21/56/92/570215692.db2.gz KFXHCEMHLLAPOI-UHFFFAOYSA-N 1 2 382.468 2.772 50 0 GFAALO O=C1O[C@@H]2C[N@H+](Cc3cccn3-c3nccs3)C[C@@H]2N1CCc1ccccn1 ZINC000019772794 570218170 /nfs/dbraw/zinc/21/81/70/570218170.db2.gz YZSALOVLBDOYIA-ZWKOTPCHSA-N 1 2 395.488 2.577 50 0 GFAALO O=C1O[C@@H]2C[N@@H+](Cc3cccn3-c3nccs3)C[C@@H]2N1CCc1ccccn1 ZINC000019772794 570218173 /nfs/dbraw/zinc/21/81/73/570218173.db2.gz YZSALOVLBDOYIA-ZWKOTPCHSA-N 1 2 395.488 2.577 50 0 GFAALO Cc1nc2cc(F)cc(C(=O)NCc3cc[nH+]c(N4CCOCC4)c3)c2nc1C ZINC000048235087 570221799 /nfs/dbraw/zinc/22/17/99/570221799.db2.gz HKWFRJZLKGBXPC-UHFFFAOYSA-N 1 2 395.438 2.547 50 0 GFAALO COc1ccc(C[N@@H+]2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)cc1C ZINC000096663745 570231891 /nfs/dbraw/zinc/23/18/91/570231891.db2.gz ZMIVEUOKYPBYIW-QGZVFWFLSA-N 1 2 380.444 2.501 50 0 GFAALO COc1ccc(C[N@H+]2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)cc1C ZINC000096663745 570231896 /nfs/dbraw/zinc/23/18/96/570231896.db2.gz ZMIVEUOKYPBYIW-QGZVFWFLSA-N 1 2 380.444 2.501 50 0 GFAALO CCCCn1c(=O)c([C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)c(O)[nH]c1=S ZINC000020267484 570250684 /nfs/dbraw/zinc/25/06/84/570250684.db2.gz DPIWXDVLBXDSCF-MRXNPFEDSA-N 1 2 391.493 2.664 50 0 GFAALO CCCCn1c(O)c([C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)c(=O)[nH]c1=S ZINC000020267484 570250685 /nfs/dbraw/zinc/25/06/85/570250685.db2.gz DPIWXDVLBXDSCF-MRXNPFEDSA-N 1 2 391.493 2.664 50 0 GFAALO O=C(c1cc(-c2ccccc2)on1)N1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000049031382 570261104 /nfs/dbraw/zinc/26/11/04/570261104.db2.gz DPEHAXIYFRIZKM-KRWDZBQOSA-N 1 2 383.473 2.895 50 0 GFAALO CCCOC(=O)c1ccc(NC(=O)C[N@H+](C)C[C@H]2COc3ccccc3O2)cc1 ZINC000012848977 570265653 /nfs/dbraw/zinc/26/56/53/570265653.db2.gz KCCZSFUIKQJPKP-SFHVURJKSA-N 1 2 398.459 2.964 50 0 GFAALO CCCOC(=O)c1ccc(NC(=O)C[N@@H+](C)C[C@H]2COc3ccccc3O2)cc1 ZINC000012848977 570265654 /nfs/dbraw/zinc/26/56/54/570265654.db2.gz KCCZSFUIKQJPKP-SFHVURJKSA-N 1 2 398.459 2.964 50 0 GFAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc(COC)o2)C[C@@H]1CCO ZINC000020541378 570266802 /nfs/dbraw/zinc/26/68/02/570266802.db2.gz WIIQFCSYHFAKAQ-IBGZPJMESA-N 1 2 388.508 2.894 50 0 GFAALO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc(COC)o2)C[C@@H]1CCO ZINC000020541378 570266806 /nfs/dbraw/zinc/26/68/06/570266806.db2.gz WIIQFCSYHFAKAQ-IBGZPJMESA-N 1 2 388.508 2.894 50 0 GFAALO 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397.548 2.710 50 0 GFAALO CC(C)(C)N=C1Nc2ccccc2C[NH2+][C@]12CCN(C(=O)c1cccnc1)C2 ZINC000065265946 570768792 /nfs/dbraw/zinc/76/87/92/570768792.db2.gz LLKVAUKZKONNPH-QFIPXVFZSA-N 1 2 377.492 2.888 50 0 GFAALO C[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(S(C)(=O)=O)cc1 ZINC000032797372 570819860 /nfs/dbraw/zinc/81/98/60/570819860.db2.gz PCHJPCRMXVSPKS-LLVKDONJSA-N 1 2 391.880 2.831 50 0 GFAALO O=C(NCCOc1ccccc1F)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000032802196 570820657 /nfs/dbraw/zinc/82/06/57/570820657.db2.gz ZHIMXVQNIOJTEB-IBGZPJMESA-N 1 2 387.455 2.577 50 0 GFAALO Cc1cccc(C(=O)NCCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)c1 ZINC000032841815 570850632 /nfs/dbraw/zinc/85/06/32/570850632.db2.gz YAANWUKNNNTSJF-HXUWFJFHSA-N 1 2 376.460 2.754 50 0 GFAALO Cc1cccc(N2CCN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)CC2)c1 ZINC000012564096 570869238 /nfs/dbraw/zinc/86/92/38/570869238.db2.gz IJSGPOKXHALLSA-UHFFFAOYSA-N 1 2 393.539 2.707 50 0 GFAALO Cc1cccc(N2CCN(c3nc(N4CCCC4)nc(N4CCCC4)[nH+]3)CC2)c1 ZINC000012564096 570869243 /nfs/dbraw/zinc/86/92/43/570869243.db2.gz IJSGPOKXHALLSA-UHFFFAOYSA-N 1 2 393.539 2.707 50 0 GFAALO O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1F ZINC000015062386 570874788 /nfs/dbraw/zinc/87/47/88/570874788.db2.gz OOYVKFFUGUQHSR-GOSISDBHSA-N 1 2 384.390 2.544 50 0 GFAALO O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1F ZINC000015062386 570874791 /nfs/dbraw/zinc/87/47/91/570874791.db2.gz OOYVKFFUGUQHSR-GOSISDBHSA-N 1 2 384.390 2.544 50 0 GFAALO COc1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c(OC)c1 ZINC000012614779 570891071 /nfs/dbraw/zinc/89/10/71/570891071.db2.gz IXZMPNVKKREWGE-UHFFFAOYSA-N 1 2 397.475 2.537 50 0 GFAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C)c(C)c1)[N@H+](C)CC3)OCO2 ZINC000015414728 570893773 /nfs/dbraw/zinc/89/37/73/570893773.db2.gz KMQIDUPOMDSLDG-SFHVURJKSA-N 1 2 393.447 2.594 50 0 GFAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C)c(C)c1)[N@@H+](C)CC3)OCO2 ZINC000015414728 570893775 /nfs/dbraw/zinc/89/37/75/570893775.db2.gz KMQIDUPOMDSLDG-SFHVURJKSA-N 1 2 393.447 2.594 50 0 GFAALO CC[C@@H](C)[C@H]1[NH2+]C2(CCN(C(=S)NC(C)C)CC2)N(C[C@@H](C)CC)C1=O ZINC000104949452 570908916 /nfs/dbraw/zinc/90/89/16/570908916.db2.gz XNAJYABQZGDGGA-GVDBMIGSSA-N 1 2 382.618 2.954 50 0 GFAALO CCn1nnc2cc(C(=O)N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)ccc21 ZINC000016103383 570913722 /nfs/dbraw/zinc/91/37/22/570913722.db2.gz YABMNPDEUNNVOW-UHFFFAOYSA-N 1 2 393.495 2.635 50 0 GFAALO O=C(NCCc1nc(Cc2ccccc2)no1)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000534669359 570920483 /nfs/dbraw/zinc/92/04/83/570920483.db2.gz YRSVLJZHSHHFFY-GOSISDBHSA-N 1 2 394.479 2.521 50 0 GFAALO CC[C@H](C)[C@@H](c1[nH]c2ccccc2[nH+]1)n1cc2c(=O)[nH]nc-2c(C(=O)OC)c1 ZINC000263587906 570932132 /nfs/dbraw/zinc/93/21/32/570932132.db2.gz MRYHUCLOERIKIE-GTNSWQLSSA-N 1 2 379.420 2.975 50 0 GFAALO COc1ccc(C(=O)NC(NCCCn2cc[nH+]c2)=C(Cl)Cl)cc1OC ZINC000016742094 570932608 /nfs/dbraw/zinc/93/26/08/570932608.db2.gz DEWMPUVVMZTHFF-UHFFFAOYSA-N 1 2 399.278 2.914 50 0 GFAALO COc1ccc(C[NH+]2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1OC ZINC000019211000 570960466 /nfs/dbraw/zinc/96/04/66/570960466.db2.gz WBFLZRZWVAVOFG-UHFFFAOYSA-N 1 2 384.476 2.735 50 0 GFAALO CN(C)C(=O)[C@@H]1C[C@@H](Sc2nccn2C)C[N@@H+]1Cc1c(F)cccc1F ZINC000019229309 570965181 /nfs/dbraw/zinc/96/51/81/570965181.db2.gz WBNYHFMPAGSGGT-WBMJQRKESA-N 1 2 380.464 2.522 50 0 GFAALO CN(C)C(=O)[C@@H]1C[C@@H](Sc2nccn2C)C[N@H+]1Cc1c(F)cccc1F ZINC000019229309 570965182 /nfs/dbraw/zinc/96/51/82/570965182.db2.gz WBNYHFMPAGSGGT-WBMJQRKESA-N 1 2 380.464 2.522 50 0 GFAALO C[NH+](C)CCN(C(=O)c1ccco1)c1nc2c(cccc2S(C)(=O)=O)s1 ZINC000007599613 570965423 /nfs/dbraw/zinc/96/54/23/570965423.db2.gz UYAOBALOBPVCCK-UHFFFAOYSA-N 1 2 393.490 2.501 50 0 GFAALO CC[NH+]1CCN(C2=C(Cl)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000019358619 570979577 /nfs/dbraw/zinc/97/95/77/570979577.db2.gz MVAIPGHCARHALZ-UHFFFAOYSA-N 1 2 387.789 2.667 50 0 GFAALO C[C@]1(CO)CCCN(c2nc(N3CCC[C@](C)(CO)C3)c3ccccc3[nH+]2)C1 ZINC000252516311 570983524 /nfs/dbraw/zinc/98/35/24/570983524.db2.gz RQWZYUHUKNIKPF-VXKWHMMOSA-N 1 2 384.524 2.827 50 0 GFAALO O=C([C@H]1COc2ccccc2O1)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000170654082 570999178 /nfs/dbraw/zinc/99/91/78/570999178.db2.gz BGKYDJGRAYTHGG-MRXNPFEDSA-N 1 2 393.365 2.589 50 0 GFAALO Cc1ccn(CCC(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)n1 ZINC000095356651 571052383 /nfs/dbraw/zinc/05/23/83/571052383.db2.gz NCJXJBVFJVGYHY-LJQANCHMSA-N 1 2 378.480 2.628 50 0 GFAALO CC(C)CN1CC2(CC1=O)CC[NH+](Cc1ccc(S(C)(=O)=O)cc1)CC2 ZINC000095382151 571068003 /nfs/dbraw/zinc/06/80/03/571068003.db2.gz HWXICZNLWYWAMU-UHFFFAOYSA-N 1 2 378.538 2.561 50 0 GFAALO Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)nc(C)n1 ZINC000095507573 571079416 /nfs/dbraw/zinc/07/94/16/571079416.db2.gz UVHRBTTXGGVJFJ-OAHLLOKOSA-N 1 2 382.493 2.815 50 0 GFAALO O=C(Cc1cccc(O)c1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095509895 571081140 /nfs/dbraw/zinc/08/11/40/571081140.db2.gz PNWONJKAHQZCNK-LJQANCHMSA-N 1 2 376.460 2.981 50 0 GFAALO Cn1ncc(Cl)c1C(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095513092 571083519 /nfs/dbraw/zinc/08/35/19/571083519.db2.gz OXVTUZSYEIENKR-CQSZACIVSA-N 1 2 384.871 2.733 50 0 GFAALO O=C(Cn1cc[nH+]c1-c1ccccc1)NCc1nc(Cc2cccs2)no1 ZINC000095521628 571087139 /nfs/dbraw/zinc/08/71/39/571087139.db2.gz BPRFYIPBTMKGOJ-UHFFFAOYSA-N 1 2 379.445 2.902 50 0 GFAALO Cn1c[nH+]cc1CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000291247400 655351173 /nfs/dbraw/zinc/35/11/73/655351173.db2.gz OSHFINYKSQITLI-OAHLLOKOSA-N 1 2 381.263 2.648 50 0 GFAALO O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCc1c[nH+]cn1C1CC1 ZINC000426490094 231228860 /nfs/dbraw/zinc/22/88/60/231228860.db2.gz CZJLYBHZJRZMSI-UHFFFAOYSA-N 1 2 399.454 2.911 50 0 GFAALO CCCOc1ccc(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000004742726 204071922 /nfs/dbraw/zinc/07/19/22/204071922.db2.gz QPMQTQKTMMRMDK-UHFFFAOYSA-N 1 2 396.491 2.938 50 0 GFAALO Cc1cc(OCC(=O)NCCCn2cc[nH+]c2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000005207847 204119416 /nfs/dbraw/zinc/11/94/16/204119416.db2.gz JCYLGTWSPQTDFP-UHFFFAOYSA-N 1 2 395.459 2.762 50 0 GFAALO Cc1[nH+]c2cc(NC(=O)CN3C(=O)NC(C)(C)C3=O)ccc2n1-c1ccccc1 ZINC000006657760 204189472 /nfs/dbraw/zinc/18/94/72/204189472.db2.gz RJZVLXYUMQGKAW-UHFFFAOYSA-N 1 2 391.431 2.603 50 0 GFAALO C[N@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1cccc(F)c1 ZINC000007843513 204252903 /nfs/dbraw/zinc/25/29/03/204252903.db2.gz QZZRQWPTHMJGRT-UHFFFAOYSA-N 1 2 375.469 2.935 50 0 GFAALO C[N@@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1cccc(F)c1 ZINC000007843513 204252905 /nfs/dbraw/zinc/25/29/05/204252905.db2.gz QZZRQWPTHMJGRT-UHFFFAOYSA-N 1 2 375.469 2.935 50 0 GFAALO C[N@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccccc1F ZINC000007911570 204254558 /nfs/dbraw/zinc/25/45/58/204254558.db2.gz MYQIUERNULFBDL-UHFFFAOYSA-N 1 2 375.469 2.935 50 0 GFAALO C[N@@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccccc1F ZINC000007911570 204254561 /nfs/dbraw/zinc/25/45/61/204254561.db2.gz MYQIUERNULFBDL-UHFFFAOYSA-N 1 2 375.469 2.935 50 0 GFAALO O=C(C[C@@]1(O)c2ccccc2N(C[NH+]2CCCCCC2)C1=O)c1ccccn1 ZINC000008569923 204279710 /nfs/dbraw/zinc/27/97/10/204279710.db2.gz SCJKKZFRQQTLQG-JOCHJYFZSA-N 1 2 379.460 2.722 50 0 GFAALO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)n(-c2ccccc2)n1 ZINC000008940301 204294385 /nfs/dbraw/zinc/29/43/85/204294385.db2.gz XEGBEFDHJGTUDZ-UHFFFAOYSA-N 1 2 378.432 2.980 50 0 GFAALO Cc1cc(NC(=O)C[N@H+](C)Cc2ccc3c(c2)OCO3)n(-c2ccccc2)n1 ZINC000008940301 204294389 /nfs/dbraw/zinc/29/43/89/204294389.db2.gz XEGBEFDHJGTUDZ-UHFFFAOYSA-N 1 2 378.432 2.980 50 0 GFAALO O=C(CCS(=O)(=O)c1ccccc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000008429198 204276402 /nfs/dbraw/zinc/27/64/02/204276402.db2.gz MYBUBGPXEURHLM-SFHVURJKSA-N 1 2 390.505 2.787 50 0 GFAALO Cc1cc(N2CCN(C(=O)c3ccc([S@](C)=O)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000010258057 204332489 /nfs/dbraw/zinc/33/24/89/204332489.db2.gz CIFNDKYEQNQVJY-HHHXNRCGSA-N 1 2 386.521 2.608 50 0 GFAALO O=C(c1ccc[nH]c1=S)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000010428774 204334934 /nfs/dbraw/zinc/33/49/34/204334934.db2.gz LSTFYJRKVDZFRO-UHFFFAOYSA-N 1 2 377.897 2.861 50 0 GFAALO O=C(COc1ccc(Br)cc1F)NCCc1cn2ccccc2[nH+]1 ZINC000011534605 204347183 /nfs/dbraw/zinc/34/71/83/204347183.db2.gz VHSYMPZLBFLWRH-UHFFFAOYSA-N 1 2 392.228 2.974 50 0 GFAALO COCC[NH+]1CCN(C(=O)c2csc3nc(-c4ccc(F)cc4)cn23)CC1 ZINC000020256074 204708485 /nfs/dbraw/zinc/70/84/85/204708485.db2.gz KQYPWIQVQSHUCJ-UHFFFAOYSA-N 1 2 388.468 2.606 50 0 GFAALO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccccc3Cl)n2C)CC1 ZINC000025784819 204835720 /nfs/dbraw/zinc/83/57/20/204835720.db2.gz OIWLRMYGASBDSY-ZDUSSCGKSA-N 1 2 393.944 2.780 50 0 GFAALO COc1ccc(COC[C@H](O)C[NH2+][C@@H](c2nccn2C)c2ccccc2F)cc1 ZINC000028690328 204878531 /nfs/dbraw/zinc/87/85/31/204878531.db2.gz UGVXQDACSMTKMU-DYESRHJHSA-N 1 2 399.466 2.825 50 0 GFAALO O=C(NCc1ccco1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCCC2)CC1 ZINC000036251715 205009345 /nfs/dbraw/zinc/00/93/45/205009345.db2.gz WOEWOGXUFBWDTP-FQEVSTJZSA-N 1 2 387.524 2.789 50 0 GFAALO O=C(NCCn1cnc(-c2ccccc2)cc1=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000070655828 205022901 /nfs/dbraw/zinc/02/29/01/205022901.db2.gz IFEIQGJVVHJOLE-UHFFFAOYSA-N 1 2 399.454 2.585 50 0 GFAALO O=C(C[NH+]1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)NCc1ccco1 ZINC000070641645 205023495 /nfs/dbraw/zinc/02/34/95/205023495.db2.gz VGZBBZCLNMMDKY-UHFFFAOYSA-N 1 2 384.411 2.965 50 0 GFAALO O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000077197095 205034674 /nfs/dbraw/zinc/03/46/74/205034674.db2.gz PRXLBOUKWNFFMB-UHFFFAOYSA-N 1 2 376.445 2.758 50 0 GFAALO O=C(c1ccc(F)cc1Cl)N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000038530400 205037685 /nfs/dbraw/zinc/03/76/85/205037685.db2.gz ONJLATAZEUXNFJ-UHFFFAOYSA-N 1 2 389.862 2.832 50 0 GFAALO O=C(c1ccc(F)cc1Cl)N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000038530400 205037690 /nfs/dbraw/zinc/03/76/90/205037690.db2.gz ONJLATAZEUXNFJ-UHFFFAOYSA-N 1 2 389.862 2.832 50 0 GFAALO O=C(CCNC(=O)c1cccs1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000048261926 205116209 /nfs/dbraw/zinc/11/62/09/205116209.db2.gz YSURZIYCXDKREK-UHFFFAOYSA-N 1 2 386.521 2.960 50 0 GFAALO O=C(CNC(=O)c1ccc(F)cc1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000048355977 205120808 /nfs/dbraw/zinc/12/08/08/205120808.db2.gz DVCOLENFWAEBEC-UHFFFAOYSA-N 1 2 384.455 2.647 50 0 GFAALO O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1)c1cc2c(cccc2F)s1 ZINC000046051590 205103921 /nfs/dbraw/zinc/10/39/21/205103921.db2.gz JYKIUBNTGNKBEH-BBRMVZONSA-N 1 2 378.469 2.508 50 0 GFAALO C[NH+]1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)CC1 ZINC000055250666 205144315 /nfs/dbraw/zinc/14/43/15/205144315.db2.gz DQMZVMDRFHMFIT-UHFFFAOYSA-N 1 2 389.381 2.803 50 0 GFAALO COc1ccc(CCn2nnnc2[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1OC ZINC000057740039 205161608 /nfs/dbraw/zinc/16/16/08/205161608.db2.gz RRCLHCCQAMNNRT-HXUWFJFHSA-N 1 2 381.480 2.892 50 0 GFAALO Cc1ccc(NC(=O)c2ccc3c(c2)nnn3CC[NH+]2CCOCC2)cc1C ZINC000065255161 205222915 /nfs/dbraw/zinc/22/29/15/205222915.db2.gz BAOZWWNFCZGDME-UHFFFAOYSA-N 1 2 379.464 2.633 50 0 GFAALO Cc1nnc(CN(C)Cc2ccc(C(=O)Nc3c[nH+]c4n3CCCC4)cc2)o1 ZINC000065384815 205233597 /nfs/dbraw/zinc/23/35/97/205233597.db2.gz LUJWMFSIISAZQJ-UHFFFAOYSA-N 1 2 380.452 2.795 50 0 GFAALO Oc1cc(-c2nc3ccccc3s2)cc2c1OCC[N@H+](CCc1nn[nH]n1)C2 ZINC000067818957 205261614 /nfs/dbraw/zinc/26/16/14/205261614.db2.gz ANVFLMZCYMRFBV-UHFFFAOYSA-N 1 2 394.460 2.619 50 0 GFAALO Oc1cc(-c2nc3ccccc3s2)cc2c1OCC[N@@H+](CCc1nn[nH]n1)C2 ZINC000067818957 205261619 /nfs/dbraw/zinc/26/16/19/205261619.db2.gz ANVFLMZCYMRFBV-UHFFFAOYSA-N 1 2 394.460 2.619 50 0 GFAALO Cc1[nH+]cn(-c2cc(NCCNC(=O)c3c(F)cccc3Cl)ncn2)c1C ZINC000072115944 205304456 /nfs/dbraw/zinc/30/44/56/205304456.db2.gz HVBQYAJHRILOLG-UHFFFAOYSA-N 1 2 388.834 2.914 50 0 GFAALO CNS(=O)(=O)c1ccc(-c2[nH+]ccn2C[C@H]2OCCc3ccccc32)cc1 ZINC000071497876 205285770 /nfs/dbraw/zinc/28/57/70/205285770.db2.gz KZGLESTZHKZBGT-LJQANCHMSA-N 1 2 383.473 2.772 50 0 GFAALO Cc1[nH+]cn(-c2cc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)ncn2)c1C ZINC000072115776 205305101 /nfs/dbraw/zinc/30/51/01/205305101.db2.gz QUUOINASUAJHRU-UHFFFAOYSA-N 1 2 396.882 2.895 50 0 GFAALO CC(=O)Nc1ccc(-c2[nH+]ccn2Cc2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000072161887 205313987 /nfs/dbraw/zinc/31/39/87/205313987.db2.gz IPENBIKXIFGBBF-UHFFFAOYSA-N 1 2 375.432 2.747 50 0 GFAALO CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000072434184 205350172 /nfs/dbraw/zinc/35/01/72/205350172.db2.gz ASDJGLDBDVQJOG-UHFFFAOYSA-N 1 2 392.459 2.841 50 0 GFAALO COC[C@@H](C)n1c(CCCC(=O)N2CCCn3c[nH+]cc3C2)nc2cccnc21 ZINC000077319712 205358459 /nfs/dbraw/zinc/35/84/59/205358459.db2.gz ZWWLNDQAHKTHMU-MRXNPFEDSA-N 1 2 396.495 2.590 50 0 GFAALO CO[C@H](C)c1nc(CN2CCCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)cs1 ZINC000079053998 205379412 /nfs/dbraw/zinc/37/94/12/205379412.db2.gz FLTTXIJRULXIBG-OAHLLOKOSA-N 1 2 399.520 2.846 50 0 GFAALO COC(=O)[C@@H](O)C1CC[NH+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000083884290 205391135 /nfs/dbraw/zinc/39/11/35/205391135.db2.gz KQSDPANWSZMLKJ-HNNXBMFYSA-N 1 2 399.369 2.501 50 0 GFAALO C[C@H](CSc1ccc(F)cc1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000084640635 205397110 /nfs/dbraw/zinc/39/71/10/205397110.db2.gz QCWDSCNIIWFHCC-BEFAXECRSA-N 1 2 398.569 2.878 50 0 GFAALO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+]1CCc2ccccc2C1 ZINC000006579999 205776834 /nfs/dbraw/zinc/77/68/34/205776834.db2.gz QMQGDFVHVQCDQA-UHFFFAOYSA-N 1 2 398.532 2.865 50 0 GFAALO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+]1CCc2ccccc2C1 ZINC000006579999 205776840 /nfs/dbraw/zinc/77/68/40/205776840.db2.gz QMQGDFVHVQCDQA-UHFFFAOYSA-N 1 2 398.532 2.865 50 0 GFAALO CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC000062021986 206103439 /nfs/dbraw/zinc/10/34/39/206103439.db2.gz JVCAGBVACLUABA-UHFFFAOYSA-N 1 2 376.888 2.538 50 0 GFAALO Cn1c2ccc(NC(=O)N3CCCC[C@H]3CCn3cc[nH+]c3)cc2n(C)c1=O ZINC000299799938 206193442 /nfs/dbraw/zinc/19/34/42/206193442.db2.gz XSRXFBQLYFBDJJ-INIZCTEOSA-N 1 2 382.468 2.550 50 0 GFAALO O=C(CNC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1cccc2ccccc21 ZINC000061720663 136156115 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C[C@H](C(=O)NCCc1cccs1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000022806890 570329472 /nfs/dbraw/zinc/32/94/72/570329472.db2.gz UQBIUEPLXGXCEO-QGZVFWFLSA-N 1 2 399.560 2.548 50 0 GFAALO C[C@H](C(=O)NCCc1cccs1)[NH+]1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000022806890 570329474 /nfs/dbraw/zinc/32/94/74/570329474.db2.gz UQBIUEPLXGXCEO-QGZVFWFLSA-N 1 2 399.560 2.548 50 0 GFAALO c1ccc(-c2nnc(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)o2)cc1 ZINC000022877431 570332481 /nfs/dbraw/zinc/33/24/81/570332481.db2.gz NGKJNZXRRDOGLD-UHFFFAOYSA-N 1 2 378.432 2.783 50 0 GFAALO Cc1nccc(O[C@@H]2CCCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C2)n1 ZINC000575610883 570334611 /nfs/dbraw/zinc/33/46/11/570334611.db2.gz ZKNMLBUVXUAMGQ-LJQANCHMSA-N 1 2 377.448 2.713 50 0 GFAALO CN1CC[NH+]([C@@H](CNC(=S)NCCc2ccccc2)c2cccs2)CC1 ZINC000022917660 570335529 /nfs/dbraw/zinc/33/55/29/570335529.db2.gz CLCICEDAPOAWFO-SFHVURJKSA-N 1 2 388.606 2.743 50 0 GFAALO Cc1ccccc1-c1cn2c(C(=O)N(C)CC[NH+]3CCOCC3)csc2n1 ZINC000023337540 570355000 /nfs/dbraw/zinc/35/50/00/570355000.db2.gz CHZWMJTZFRCFPE-UHFFFAOYSA-N 1 2 384.505 2.775 50 0 GFAALO O=C1C[C@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000100412310 570359444 /nfs/dbraw/zinc/35/94/44/570359444.db2.gz KTRZKIFPGSCOJO-XBGMYJNYSA-N 1 2 393.462 2.789 50 0 GFAALO Cc1ccnn1-c1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000023865037 570374068 /nfs/dbraw/zinc/37/40/68/570374068.db2.gz OUBZDLLOPZVXIE-UHFFFAOYSA-N 1 2 390.487 2.943 50 0 GFAALO COc1ccc(-c2noc(CN(C)c3cc(C4CC(O)C4)[nH+]c(C)n3)n2)cc1 ZINC000220514003 570387804 /nfs/dbraw/zinc/38/78/04/570387804.db2.gz DPPPTUXZEKTVBE-UHFFFAOYSA-N 1 2 381.436 2.718 50 0 GFAALO COc1cccc([C@H](NS(=O)(=O)Cc2ccc(F)cc2)c2[nH+]ccn2C)c1 ZINC000025059478 570404780 /nfs/dbraw/zinc/40/47/80/570404780.db2.gz WQFNKRFKEYHXIR-SFHVURJKSA-N 1 2 389.452 2.777 50 0 GFAALO C[C@]1(CCc2ccccc2)NC(=O)N(C[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000025765351 570419184 /nfs/dbraw/zinc/41/91/84/570419184.db2.gz CFHRDMBQRTZMBT-HSZRJFAPSA-N 1 2 392.503 2.709 50 0 GFAALO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnc(C3CC3)n2Cc2ccccc2)CC1 ZINC000025776990 570419430 /nfs/dbraw/zinc/41/94/30/570419430.db2.gz IQUKNFQUXOPSCH-INIZCTEOSA-N 1 2 399.564 2.849 50 0 GFAALO NC(=O)[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000027774321 570442601 /nfs/dbraw/zinc/44/26/01/570442601.db2.gz LOKXBWFLFRPWPN-SFHVURJKSA-N 1 2 393.409 2.929 50 0 GFAALO O=C(CSc1n[nH]c(-c2ccccc2)n1)N1CC[NH+](Cc2cccs2)CC1 ZINC000030572993 570491871 /nfs/dbraw/zinc/49/18/71/570491871.db2.gz HLAQZHKCHLCUKO-UHFFFAOYSA-N 1 2 399.545 2.970 50 0 GFAALO Cc1cc(C)cc(C(=O)NCC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000030656359 570493018 /nfs/dbraw/zinc/49/30/18/570493018.db2.gz MXIXREIOWMHIHB-UHFFFAOYSA-N 1 2 376.460 2.594 50 0 GFAALO Cc1cc(N2CCOCC2)nc(SCC(=O)N2CCCc3ccccc32)[nH+]1 ZINC000002699506 570505201 /nfs/dbraw/zinc/50/52/01/570505201.db2.gz XBHHEQPHPQRAGW-UHFFFAOYSA-N 1 2 384.505 2.693 50 0 GFAALO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2nc(=O)c3sccc3[nH]2)cc1 ZINC000022800437 570549848 /nfs/dbraw/zinc/54/98/48/570549848.db2.gz SJEWRZYBCDJBRK-QGZVFWFLSA-N 1 2 384.505 2.868 50 0 GFAALO C[N@H+](Cc1cc(C(=O)NCc2cnc3ccccn23)no1)Cc1ccccc1 ZINC000011936494 570593819 /nfs/dbraw/zinc/59/38/19/570593819.db2.gz ZPEZZCVTWXOXLI-UHFFFAOYSA-N 1 2 375.432 2.884 50 0 GFAALO C[N@@H+](Cc1cc(C(=O)NCc2cnc3ccccn23)no1)Cc1ccccc1 ZINC000011936494 570593822 /nfs/dbraw/zinc/59/38/22/570593822.db2.gz ZPEZZCVTWXOXLI-UHFFFAOYSA-N 1 2 375.432 2.884 50 0 GFAALO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2ccon2)CC1 ZINC000012708437 570701002 /nfs/dbraw/zinc/70/10/02/570701002.db2.gz WYJLKBVEACEFGR-UHFFFAOYSA-N 1 2 381.436 2.969 50 0 GFAALO CC(C)(C)[NH+]=C1Nc2ccccc2N[C@]12CCCN(C(=O)c1cnccn1)C2 ZINC000065260071 570762288 /nfs/dbraw/zinc/76/22/88/570762288.db2.gz SVASKZMZEBBZCD-NRFANRHFSA-N 1 2 378.480 2.995 50 0 GFAALO C[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018049142 570797928 /nfs/dbraw/zinc/79/79/28/570797928.db2.gz BZHADTUAILBVDJ-CQSZACIVSA-N 1 2 384.461 2.735 50 0 GFAALO CCc1ccc2oc(=O)cc(C[NH+]3CCN(CC(=O)NC4CCCC4)CC3)c2c1 ZINC000033088054 570807060 /nfs/dbraw/zinc/80/70/60/570807060.db2.gz ZOCYZKMUQXCZBW-UHFFFAOYSA-N 1 2 397.519 2.532 50 0 GFAALO Cc1cc(N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000032808489 570822661 /nfs/dbraw/zinc/82/26/61/570822661.db2.gz LYAAFRHLPAGDOO-UHFFFAOYSA-N 1 2 392.500 2.949 50 0 GFAALO C[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012549539 570852177 /nfs/dbraw/zinc/85/21/77/570852177.db2.gz YNBSYBKFCCZDMH-MRXNPFEDSA-N 1 2 377.448 2.595 50 0 GFAALO FC(F)(F)c1nnc2ccc(NC[C@@H](c3cccs3)[NH+]3CCOCC3)nn21 ZINC000014713166 570856604 /nfs/dbraw/zinc/85/66/04/570856604.db2.gz PYNWMDDSHVVPFP-NSHDSACASA-N 1 2 398.414 2.690 50 0 GFAALO Cc1ccc(C(=O)NCC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc1 ZINC000012559927 570861852 /nfs/dbraw/zinc/86/18/52/570861852.db2.gz CDLQIVDZGOUKAH-IBGZPJMESA-N 1 2 380.423 2.503 50 0 GFAALO COc1ccc(-c2nc(C[NH+]3CCN(c4ncccn4)CC3)c(C)o2)cc1OC ZINC000014972823 570867861 /nfs/dbraw/zinc/86/78/61/570867861.db2.gz DGQUCFWNCULBIK-UHFFFAOYSA-N 1 2 395.463 2.779 50 0 GFAALO O=C(NCc1cccnc1N1CCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000015063015 570875364 /nfs/dbraw/zinc/87/53/64/570875364.db2.gz PQOGIZIMBPZZOD-UHFFFAOYSA-N 1 2 379.489 2.795 50 0 GFAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016035055 570912399 /nfs/dbraw/zinc/91/23/99/570912399.db2.gz BTPZSMSANXHFEL-IYWMVGAKSA-N 1 2 376.387 2.930 50 0 GFAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016035055 570912402 /nfs/dbraw/zinc/91/24/02/570912402.db2.gz BTPZSMSANXHFEL-IYWMVGAKSA-N 1 2 376.387 2.930 50 0 GFAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)s3)cc2)CC1 ZINC000016605730 570928761 /nfs/dbraw/zinc/92/87/61/570928761.db2.gz YPHGOEPUKCTOQE-UHFFFAOYSA-N 1 2 399.925 2.590 50 0 GFAALO O=C(CC1(n2cccc2)CCOCC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000263588536 570933064 /nfs/dbraw/zinc/93/30/64/570933064.db2.gz VKJJDHRFLIWIKY-UHFFFAOYSA-N 1 2 397.519 2.607 50 0 GFAALO COc1ccc(C[NH2+][C@@H]2CNC(=O)c3cc(-c4cccc(OC)c4)nn32)cc1 ZINC000263616810 570954221 /nfs/dbraw/zinc/95/42/21/570954221.db2.gz KRGFPYYQTJMBMM-FQEVSTJZSA-N 1 2 378.432 2.599 50 0 GFAALO O=C(c1ccc(F)cc1)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091304151 571002827 /nfs/dbraw/zinc/00/28/27/571002827.db2.gz FTKWWFITKHTTRI-NRFANRHFSA-N 1 2 384.455 2.636 50 0 GFAALO O=C(c1ccc(F)cc1)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091304151 571002832 /nfs/dbraw/zinc/00/28/32/571002832.db2.gz FTKWWFITKHTTRI-NRFANRHFSA-N 1 2 384.455 2.636 50 0 GFAALO Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCCN(C(=O)c2ccn(C(C)(C)C)c2)C1 ZINC000095384086 571069588 /nfs/dbraw/zinc/06/95/88/571069588.db2.gz WLVIUQKKBDUPIM-INIZCTEOSA-N 1 2 395.511 2.636 50 0 GFAALO Cc1cccc2[nH]c(C3CCN(C(=O)c4[nH]nc5c4C[N@H+](C)CC5)CC3)nc21 ZINC000095387946 571071187 /nfs/dbraw/zinc/07/11/87/571071187.db2.gz ARVFMIRGURCFQB-UHFFFAOYSA-N 1 2 378.480 2.602 50 0 GFAALO Cc1cccc2[nH]c(C3CCN(C(=O)c4[nH]nc5c4C[N@@H+](C)CC5)CC3)nc21 ZINC000095387946 571071189 /nfs/dbraw/zinc/07/11/89/571071189.db2.gz ARVFMIRGURCFQB-UHFFFAOYSA-N 1 2 378.480 2.602 50 0 GFAALO CCc1noc(C[NH+]2CCC3(CC(=O)N(Cc4cccc(OC)c4)C3)CC2)n1 ZINC000095496514 571074134 /nfs/dbraw/zinc/07/41/34/571074134.db2.gz HSLDNMUFKNAQOW-UHFFFAOYSA-N 1 2 384.480 2.655 50 0 GFAALO CCn1cc[nH+]c1C1CCN(C(=O)CCCn2cnc3ccccc3c2=O)CC1 ZINC000095499636 571075694 /nfs/dbraw/zinc/07/56/94/571075694.db2.gz ZDSQJGJJQFYQPD-UHFFFAOYSA-N 1 2 393.491 2.799 50 0 GFAALO CCn1cc[nH+]c1C1CCN(C(=O)c2cnc(N)nc2-c2ccccc2)CC1 ZINC000095513253 571083453 /nfs/dbraw/zinc/08/34/53/571083453.db2.gz QFPVOQFOYHPEJD-UHFFFAOYSA-N 1 2 376.464 2.962 50 0 GFAALO CSc1nc(O)c([C@@H]2[NH2+]CCc3c4cc(Cl)ccc4[nH]c32)c(=O)n1C ZINC000020591724 654524973 /nfs/dbraw/zinc/52/49/73/654524973.db2.gz FHMNRHYMSHLOSW-AWEZNQCLSA-N 1 2 376.869 2.578 50 0 GFAALO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)COc2ccccc2Cl)CC1 ZINC000006703806 204193423 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GFAALO COc1ccccc1C(=O)N1CC[NH+]([C@H](C(=O)NC(C)C)C2CCCC2)CC1 ZINC000036251916 205009468 /nfs/dbraw/zinc/00/94/68/205009468.db2.gz NNIVUEZBKPKMJA-FQEVSTJZSA-N 1 2 387.524 2.536 50 0 GFAALO CCNC(=O)N1CC[NH+]([C@@H](C(=O)NCc2cccc(C)c2)C2CCCC2)CC1 ZINC000036310607 205011116 /nfs/dbraw/zinc/01/11/16/205011116.db2.gz UALXOGUPEABCHY-HXUWFJFHSA-N 1 2 386.540 2.517 50 0 GFAALO O=C(CCNC(=O)NC1CCCCC1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000036398157 205016435 /nfs/dbraw/zinc/01/64/35/205016435.db2.gz PXICVSYAJSOZLZ-UHFFFAOYSA-N 1 2 377.876 2.626 50 0 GFAALO Cc1noc(C[NH+]2CCC([C@@H]3CCCCCN3C(=O)C3CCOCC3)CC2)n1 ZINC000071890549 205029598 /nfs/dbraw/zinc/02/95/98/205029598.db2.gz ORNWUWZENMRXAU-IBGZPJMESA-N 1 2 390.528 2.788 50 0 GFAALO COc1ccc(C)cc1NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000047539468 205111494 /nfs/dbraw/zinc/11/14/94/205111494.db2.gz ZYSVOTYOLFBILP-UHFFFAOYSA-N 1 2 377.485 2.931 50 0 GFAALO CCOC(=O)c1cc2cc(NC(=O)NC[C@@H](C)[NH+]3CCOCC3)ccc2s1 ZINC000048325101 205120530 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GFAALO COc1ccc(CCC2CC[NH+](Cn3nc(-n4ccnc4)ccc3=O)CC2)cc1 ZINC000058438212 205175928 /nfs/dbraw/zinc/17/59/28/205175928.db2.gz JFGASHWHTUAIFF-UHFFFAOYSA-N 1 2 393.491 2.740 50 0 GFAALO COc1ccc(-c2noc(-c3ccc(NCC[NH+]4CCOCC4)nc3)n2)cc1 ZINC000065097865 205210735 /nfs/dbraw/zinc/21/07/35/205210735.db2.gz WLUDOXHKECMWHJ-UHFFFAOYSA-N 1 2 381.436 2.551 50 0 GFAALO Cc1ccc2cc(C[N@@H+]3CCCn4nc(C(=O)NC5CC5)cc4C3)c(=O)[nH]c2c1 ZINC000065374189 205232448 /nfs/dbraw/zinc/23/24/48/205232448.db2.gz YVDWBTQHHBUXEJ-UHFFFAOYSA-N 1 2 391.475 2.743 50 0 GFAALO Cc1ccc2cc(C[N@H+]3CCCn4nc(C(=O)NC5CC5)cc4C3)c(=O)[nH]c2c1 ZINC000065374189 205232449 /nfs/dbraw/zinc/23/24/49/205232449.db2.gz YVDWBTQHHBUXEJ-UHFFFAOYSA-N 1 2 391.475 2.743 50 0 GFAALO O=C(c1cccc(Br)c1)N1CCCSC[C@H]1C[NH+]1CCOCC1 ZINC000090609064 205275255 /nfs/dbraw/zinc/27/52/55/205275255.db2.gz OOPRQDWCBQBYTL-MRXNPFEDSA-N 1 2 399.354 2.729 50 0 GFAALO CC(C)(C)C(=O)N1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072121775 205307628 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O=C(Nc1ccccc1OC[C@@H]1CCCO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000095506447 136180222 /nfs/dbraw/zinc/18/02/22/136180222.db2.gz BBHDQBPRUOUCJI-KRWDZBQOSA-N 1 2 382.464 2.994 50 0 GFAALO COc1ccc(C(=O)NC2CC2)cc1OC1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000095505322 136180237 /nfs/dbraw/zinc/18/02/37/136180237.db2.gz UJADCATYZOJYGS-UHFFFAOYSA-N 1 2 382.464 2.734 50 0 GFAALO COc1ccccc1COC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000058576456 222053400 /nfs/dbraw/zinc/05/34/00/222053400.db2.gz DAEYUBBZOKTJJV-TZIWHRDSSA-N 1 2 375.440 2.785 50 0 GFAALO COc1ccccc1COC[C@H](O)C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000058576456 222053407 /nfs/dbraw/zinc/05/34/07/222053407.db2.gz DAEYUBBZOKTJJV-TZIWHRDSSA-N 1 2 375.440 2.785 50 0 GFAALO Cc1cc2[nH]c(CCC(=O)N[C@@H]3CCCN(c4cnccn4)C3)[nH+]c2cc1C ZINC000426723856 534131662 /nfs/dbraw/zinc/13/16/62/534131662.db2.gz JASCKJHKGAHPBA-MRXNPFEDSA-N 1 2 378.480 2.688 50 0 GFAALO Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c(C)c1 ZINC000022805281 525052651 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C[N@@H+](CC(=O)N(CCC(N)=O)c1ccc(F)cc1)Cc1ccc(Cl)s1 ZINC000027359779 206012498 /nfs/dbraw/zinc/01/24/98/206012498.db2.gz GCGYLHZUXAHXFG-UHFFFAOYSA-N 1 2 383.876 2.881 50 0 GFAALO Cc1ccccc1-c1cccc(C(=O)N2CC[NH+](CCn3cncn3)CC2)c1 ZINC000240825164 206126018 /nfs/dbraw/zinc/12/60/18/206126018.db2.gz QNPBMIRVNNWFMV-UHFFFAOYSA-N 1 2 375.476 2.712 50 0 GFAALO Cn1cc[nH+]c1CN1CCN(C(=O)Nc2ccc(-c3cscn3)cc2)CC1 ZINC000299763148 206187287 /nfs/dbraw/zinc/18/72/87/206187287.db2.gz HAFUNVNEJNQYNQ-UHFFFAOYSA-N 1 2 382.493 2.893 50 0 GFAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000241588080 533054576 /nfs/dbraw/zinc/05/45/76/533054576.db2.gz OZKMPPVQSRCDFR-UAGQMJEPSA-N 1 2 388.464 2.593 50 0 GFAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000241588080 533054585 /nfs/dbraw/zinc/05/45/85/533054585.db2.gz OZKMPPVQSRCDFR-UAGQMJEPSA-N 1 2 388.464 2.593 50 0 GFAALO CCC[NH+]1CCN(C(=O)c2ccc(C[S@@](=O)c3ccc(F)cc3)o2)CC1 ZINC000006895644 220976391 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Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCCN(c2cc(C(F)(F)F)ccn2)C1 ZINC000095372224 136178522 /nfs/dbraw/zinc/17/85/22/136178522.db2.gz PJZHESAIZIALAK-CYBMUJFWSA-N 1 2 391.401 2.858 50 0 GFAALO Cc1cccc(N2CC[NH+]([C@@H](C(=O)[O-])c3ccc(-n4cccn4)cc3)CC2)[nH+]1 ZINC000095390639 136178983 /nfs/dbraw/zinc/17/89/83/136178983.db2.gz MKGPZRIJPGQWIT-HXUWFJFHSA-N 1 2 377.448 2.524 50 0 GFAALO CN(C)C(=O)C[NH+]1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000020669467 136202952 /nfs/dbraw/zinc/20/29/52/136202952.db2.gz RUXGLFGRMPNARI-UHFFFAOYSA-N 1 2 381.505 2.569 50 0 GFAALO CCOC(=O)C1C(C[NH+]2CCCCC2)=NC(=O)N[C@H]1c1ccc(F)c(F)c1 ZINC000067285928 222143771 /nfs/dbraw/zinc/14/37/71/222143771.db2.gz UILBXROCJFXWAE-KRWDZBQOSA-N 1 2 379.407 2.622 50 0 GFAALO Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C)c(Cl)c3)[C@H](O)C2)cs1 ZINC000426584064 534364572 /nfs/dbraw/zinc/36/45/72/534364572.db2.gz RKKOSYNRWZYPGD-IAGOWNOFSA-N 1 2 379.913 2.779 50 0 GFAALO Cc1nc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C)c(Cl)c3)[C@H](O)C2)cs1 ZINC000426584064 534364584 /nfs/dbraw/zinc/36/45/84/534364584.db2.gz RKKOSYNRWZYPGD-IAGOWNOFSA-N 1 2 379.913 2.779 50 0 GFAALO CCCCNC(=O)C[NH+]1CCN(c2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000058176688 535282243 /nfs/dbraw/zinc/28/22/43/535282243.db2.gz KHQYHIJITNAYMJ-UHFFFAOYSA-N 1 2 395.429 2.687 50 0 GFAALO O=C(NCc1cn2ccccc2[nH+]1)c1cn(-c2cccc(Br)c2)nn1 ZINC000028875495 551125037 /nfs/dbraw/zinc/12/50/37/551125037.db2.gz WTDIACFAPIVSJU-UHFFFAOYSA-N 1 2 397.236 2.608 50 0 GFAALO Cc1nc(CCNC(=O)N2CC[NH+](Cc3cccnc3)CC2)sc1Cl ZINC000534672596 564993877 /nfs/dbraw/zinc/99/38/77/564993877.db2.gz DCTWTSPXVWQWGZ-UHFFFAOYSA-N 1 2 379.917 2.570 50 0 GFAALO CCn1c(Cn2cc[nH+]c2)nnc1C1CCN(C(=O)CCC(F)(F)F)CC1 ZINC000096133771 570211896 /nfs/dbraw/zinc/21/18/96/570211896.db2.gz YIPIPKAJDBIFCG-UHFFFAOYSA-N 1 2 384.406 2.591 50 0 GFAALO CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)Cc2cc(C)ccc2C)CC1 ZINC000096133637 570211957 /nfs/dbraw/zinc/21/19/57/570211957.db2.gz CNWUVRQIUGNKIH-UHFFFAOYSA-N 1 2 383.540 2.925 50 0 GFAALO CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)c2c(F)cccc2OC)CC1 ZINC000096164339 570217898 /nfs/dbraw/zinc/21/78/98/570217898.db2.gz ULVJDDYGFAPQCR-UHFFFAOYSA-N 1 2 389.475 2.527 50 0 GFAALO C[C@@H](CS(=O)(=O)c1ccc2ccccc2c1)[NH+]1CCC2(CC1)OCCO2 ZINC000019826741 570222731 /nfs/dbraw/zinc/22/27/31/570222731.db2.gz WISLRRYRTWAEIH-INIZCTEOSA-N 1 2 375.490 2.841 50 0 GFAALO O=C(C[NH+]1CCCCCC1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000012421757 570232307 /nfs/dbraw/zinc/23/23/07/570232307.db2.gz UYHNWMYDZLTADC-UHFFFAOYSA-N 1 2 394.522 2.758 50 0 GFAALO Cc1cc(N2CCN([C@@H](C)C(=O)NCc3ccc(F)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000012819531 570233089 /nfs/dbraw/zinc/23/30/89/570233089.db2.gz LPFXOPVPNYNGBS-KRWDZBQOSA-N 1 2 399.514 2.874 50 0 GFAALO OCC[C@H]1CN(Cc2cccc3nccnc23)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000020255249 570250210 /nfs/dbraw/zinc/25/02/10/570250210.db2.gz NHNPTHCXTSXCDL-FQEVSTJZSA-N 1 2 380.467 2.838 50 0 GFAALO OCC[C@H]1CN(Cc2cccc3nccnc23)CC[N@H+]1Cc1ccc(F)cc1 ZINC000020255249 570250211 /nfs/dbraw/zinc/25/02/11/570250211.db2.gz NHNPTHCXTSXCDL-FQEVSTJZSA-N 1 2 380.467 2.838 50 0 GFAALO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCN(CC=C(C)C)[C@H](CCO)C2)cc1 ZINC000104491596 570259266 /nfs/dbraw/zinc/25/92/66/570259266.db2.gz POIDVRWXZNQFTJ-HXUWFJFHSA-N 1 2 384.524 2.920 50 0 GFAALO COc1ccc(-c2n[nH]cc2C[N@H+]2CCN(CC=C(C)C)[C@H](CCO)C2)cc1 ZINC000104491596 570259269 /nfs/dbraw/zinc/25/92/69/570259269.db2.gz POIDVRWXZNQFTJ-HXUWFJFHSA-N 1 2 384.524 2.920 50 0 GFAALO C[C@@H]([NH2+]Cc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc2c(c1)CCCC2 ZINC000049581027 570271115 /nfs/dbraw/zinc/27/11/15/570271115.db2.gz VHUSWSDXNQIUDH-OAHLLOKOSA-N 1 2 390.487 2.611 50 0 GFAALO C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000049934817 570272847 /nfs/dbraw/zinc/27/28/47/570272847.db2.gz OSLBOAMBGODQGY-KRWDZBQOSA-N 1 2 394.519 2.846 50 0 GFAALO C[NH+]1CCN(S(=O)(=O)c2ccc(SCCCc3ccccc3)nc2)CC1 ZINC000035271405 570280250 /nfs/dbraw/zinc/28/02/50/570280250.db2.gz WEHJBTJATAQZOW-UHFFFAOYSA-N 1 2 391.562 2.743 50 0 GFAALO Cc1cc(=O)[nH]c(-c2cccc(C[NH+]3CCN(C(=O)c4cccs4)CC3)c2)n1 ZINC000020993017 570286296 /nfs/dbraw/zinc/28/62/96/570286296.db2.gz GGHIZYYONXGKCL-UHFFFAOYSA-N 1 2 394.500 2.765 50 0 GFAALO CCOC(=O)c1s/c(=N\c2ccc(C)cc2)n(CC[NH+]2CCOCC2)c1C ZINC000002546751 570290286 /nfs/dbraw/zinc/29/02/86/570290286.db2.gz JVJAKFZVIHNNGW-MRCUWXFGSA-N 1 2 389.521 2.908 50 0 GFAALO CCCn1nc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)ccc1=O ZINC000022291182 570312251 /nfs/dbraw/zinc/31/22/51/570312251.db2.gz MPSDMZOLGKRYTO-UHFFFAOYSA-N 1 2 375.498 2.594 50 0 GFAALO CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000023441332 570324141 /nfs/dbraw/zinc/32/41/41/570324141.db2.gz BRHCJGWYLMEDAN-IBGZPJMESA-N 1 2 387.455 2.518 50 0 GFAALO COc1ccc(F)cc1C[NH+]1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000022784514 570327248 /nfs/dbraw/zinc/32/72/48/570327248.db2.gz ZDJDAPRDOCRZSF-UHFFFAOYSA-N 1 2 397.494 2.931 50 0 GFAALO Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000575612078 570336493 /nfs/dbraw/zinc/33/64/93/570336493.db2.gz JAOJFBDHVDNGAG-KRWDZBQOSA-N 1 2 378.498 2.708 50 0 GFAALO O=c1[nH]c(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)nc2cc(Cl)ccc21 ZINC000022934939 570338390 /nfs/dbraw/zinc/33/83/90/570338390.db2.gz XZYJAFSYCYORQW-LJQANCHMSA-N 1 2 398.894 2.740 50 0 GFAALO CC(C)Cc1ccc(C[N@@H+]2CCn3nc([C@@H](O)c4nccn4C)cc3C2)cc1 ZINC000218794310 570341128 /nfs/dbraw/zinc/34/11/28/570341128.db2.gz BYJJQVARKSBWHS-OAQYLSRUSA-N 1 2 379.508 2.913 50 0 GFAALO CC(C)Cc1ccc(C[N@H+]2CCn3nc([C@@H](O)c4nccn4C)cc3C2)cc1 ZINC000218794310 570341131 /nfs/dbraw/zinc/34/11/31/570341131.db2.gz BYJJQVARKSBWHS-OAQYLSRUSA-N 1 2 379.508 2.913 50 0 GFAALO OCC[C@H]1CN(Cc2ccc3nsnc3c2)CC[N@@H+]1Cc1ccccc1F ZINC000023374378 570358464 /nfs/dbraw/zinc/35/84/64/570358464.db2.gz HRJTVCYIBDJLHQ-KRWDZBQOSA-N 1 2 386.496 2.899 50 0 GFAALO OCC[C@H]1CN(Cc2ccc3nsnc3c2)CC[N@H+]1Cc1ccccc1F ZINC000023374378 570358467 /nfs/dbraw/zinc/35/84/67/570358467.db2.gz HRJTVCYIBDJLHQ-KRWDZBQOSA-N 1 2 386.496 2.899 50 0 GFAALO OCC[C@H]1C[N@H+](Cc2ccc3nsnc3c2)CCN1Cc1ccccc1F ZINC000023374378 570358469 /nfs/dbraw/zinc/35/84/69/570358469.db2.gz HRJTVCYIBDJLHQ-KRWDZBQOSA-N 1 2 386.496 2.899 50 0 GFAALO OCC[C@H]1C[N@@H+](Cc2ccc3nsnc3c2)CCN1Cc1ccccc1F ZINC000023374378 570358471 /nfs/dbraw/zinc/35/84/71/570358471.db2.gz HRJTVCYIBDJLHQ-KRWDZBQOSA-N 1 2 386.496 2.899 50 0 GFAALO COc1ccc(C)cc1C[NH+]1CCN(C(=O)Cc2cn3ccsc3n2)CC1 ZINC000023845507 570373153 /nfs/dbraw/zinc/37/31/53/570373153.db2.gz DYWMZRBSZYNWJI-UHFFFAOYSA-N 1 2 384.505 2.600 50 0 GFAALO COc1ccc([C@H](NC(=O)c2cnc3c(c2)c(C)nn3C)c2[nH+]ccn2C)cc1 ZINC000024026323 570377242 /nfs/dbraw/zinc/37/72/42/570377242.db2.gz NMRJCRNZOWVCKK-SFHVURJKSA-N 1 2 390.447 2.538 50 0 GFAALO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000024148406 570379580 /nfs/dbraw/zinc/37/95/80/570379580.db2.gz CRCQJNCVBCBICX-HSZRJFAPSA-N 1 2 375.472 2.958 50 0 GFAALO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@H+]2CCc3ccccc3C2)C1=O ZINC000024148406 570379582 /nfs/dbraw/zinc/37/95/82/570379582.db2.gz CRCQJNCVBCBICX-HSZRJFAPSA-N 1 2 375.472 2.958 50 0 GFAALO CC(=O)c1cccc(NC(=O)C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000024984272 570401321 /nfs/dbraw/zinc/40/13/21/570401321.db2.gz CLFIFDFIVLWCML-UHFFFAOYSA-N 1 2 385.508 2.942 50 0 GFAALO O=C(c1cccc(OC(F)F)c1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000025266313 570409678 /nfs/dbraw/zinc/40/96/78/570409678.db2.gz YQAVDDNBIPETTF-SFHVURJKSA-N 1 2 376.403 2.779 50 0 GFAALO C[NH+](C)C[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1 ZINC000027150504 570432171 /nfs/dbraw/zinc/43/21/71/570432171.db2.gz QATWMYUMBVWOSR-INIZCTEOSA-N 1 2 382.432 2.716 50 0 GFAALO COc1ccc([C@H](CNC(=O)c2ccc3[nH]nnc3c2)[NH+]2CCCCC2)cc1 ZINC000027667944 570439713 /nfs/dbraw/zinc/43/97/13/570439713.db2.gz CPTDDUAGBLDPAO-FQEVSTJZSA-N 1 2 379.464 2.924 50 0 GFAALO Cc1cc(N2CCN(C(=O)[C@H]3Oc4ccccc4O[C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000027809776 570443582 /nfs/dbraw/zinc/44/35/82/570443582.db2.gz ZOSXRBPXQCNCFH-UZLBHIALSA-N 1 2 396.491 2.786 50 0 GFAALO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000029160772 570469158 /nfs/dbraw/zinc/46/91/58/570469158.db2.gz JIOCCHPAGPCXHP-HNNXBMFYSA-N 1 2 395.511 2.593 50 0 GFAALO O=C(CCn1cnc2ccccc21)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000030019441 570484624 /nfs/dbraw/zinc/48/46/24/570484624.db2.gz CDPHHXKEQVLTHY-UHFFFAOYSA-N 1 2 378.476 2.650 50 0 GFAALO Cc1ccc(NC(=O)CSc2nnc(CC[NH+]3CCOCC3)o2)cc1Cl ZINC000022714106 570537870 /nfs/dbraw/zinc/53/78/70/570537870.db2.gz AXNFNGMVWPCDIU-UHFFFAOYSA-N 1 2 396.900 2.637 50 0 GFAALO O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000034849548 570544811 /nfs/dbraw/zinc/54/48/11/570544811.db2.gz PIUFWGCIIJHPSK-MKXGPGLRSA-N 1 2 378.403 2.661 50 0 GFAALO O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000034849548 570544815 /nfs/dbraw/zinc/54/48/15/570544815.db2.gz PIUFWGCIIJHPSK-MKXGPGLRSA-N 1 2 378.403 2.661 50 0 GFAALO Cn1cc[nH+]c1[C@H](NS(=O)(=O)Cc1ccc(F)cc1)c1cccc(F)c1 ZINC000012630118 570692876 /nfs/dbraw/zinc/69/28/76/570692876.db2.gz NFKQBQHKRRDYPV-QGZVFWFLSA-N 1 2 377.416 2.907 50 0 GFAALO O=C(C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)NCc1ccc(F)cc1 ZINC000013040242 570743067 /nfs/dbraw/zinc/74/30/67/570743067.db2.gz HLLSHLJMLJNOSB-UHFFFAOYSA-N 1 2 396.388 2.678 50 0 GFAALO Cc1ccc(C[NH+]2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)cc1 ZINC000014239707 570835650 /nfs/dbraw/zinc/83/56/50/570835650.db2.gz MKPGQCNFPOUXBT-UHFFFAOYSA-N 1 2 388.518 2.506 50 0 GFAALO Cc1nc2sc3c(c2c(N2CC[NH+](CC(=O)NC4CC4)CC2)n1)CC[C@@H](C)C3 ZINC000014241090 570836027 /nfs/dbraw/zinc/83/60/27/570836027.db2.gz JUELXNKQABNQRZ-CYBMUJFWSA-N 1 2 399.564 2.525 50 0 GFAALO COc1ccc([C@@H](CNC(=O)c2cn(C)c3ccccc23)[NH+]2CCOCC2)cc1 ZINC000012538001 570837161 /nfs/dbraw/zinc/83/71/61/570837161.db2.gz UQKNYDFNESOIFU-JOCHJYFZSA-N 1 2 393.487 2.990 50 0 GFAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)N1CCCc2ccc(F)c(F)c21 ZINC000170614983 570872527 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/nfs/dbraw/zinc/23/35/73/207233573.db2.gz AWKFVABWYBQMDE-UHFFFAOYSA-N 1 2 377.448 2.988 50 0 GFAALO COCCCNC(=O)C1CCN(c2cc(C)c3cc(NC(C)=O)ccc3[nH+]2)CC1 ZINC000021704039 207234560 /nfs/dbraw/zinc/23/45/60/207234560.db2.gz HZXCDKZPDNAXGX-UHFFFAOYSA-N 1 2 398.507 2.871 50 0 GFAALO Cc1ccccc1C(=O)N1CCC(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000022024413 207244513 /nfs/dbraw/zinc/24/45/13/207244513.db2.gz KXOIODIJRNCLBE-UHFFFAOYSA-N 1 2 376.460 2.811 50 0 GFAALO CS(=O)(=O)c1cccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000022238403 207249681 /nfs/dbraw/zinc/24/96/81/207249681.db2.gz CFXMRVLEVJYQCO-UHFFFAOYSA-N 1 2 379.507 2.785 50 0 GFAALO OCC[C@@H]1CN(Cc2cnc(N3CCCC3)s2)CC[N@@H+]1Cc1ccsc1 ZINC000023373130 207274583 /nfs/dbraw/zinc/27/45/83/207274583.db2.gz QIPKLXALSUPTHB-QGZVFWFLSA-N 1 2 392.594 2.874 50 0 GFAALO OCC[C@@H]1CN(Cc2cnc(N3CCCC3)s2)CC[N@H+]1Cc1ccsc1 ZINC000023373130 207274587 /nfs/dbraw/zinc/27/45/87/207274587.db2.gz QIPKLXALSUPTHB-QGZVFWFLSA-N 1 2 392.594 2.874 50 0 GFAALO OCC[C@@H]1C[N@H+](Cc2cnc(N3CCCC3)s2)CCN1Cc1ccsc1 ZINC000023373130 207274589 /nfs/dbraw/zinc/27/45/89/207274589.db2.gz QIPKLXALSUPTHB-QGZVFWFLSA-N 1 2 392.594 2.874 50 0 GFAALO OCC[C@@H]1C[N@@H+](Cc2cnc(N3CCCC3)s2)CCN1Cc1ccsc1 ZINC000023373130 207274594 /nfs/dbraw/zinc/27/45/94/207274594.db2.gz QIPKLXALSUPTHB-QGZVFWFLSA-N 1 2 392.594 2.874 50 0 GFAALO O[C@H]1C[N@H+](C/C(Cl)=C/c2ccccc2)C[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000023358505 207276170 /nfs/dbraw/zinc/27/61/70/207276170.db2.gz RQIHCANSYCXIHK-DFKIOILLSA-N 1 2 398.938 2.529 50 0 GFAALO O[C@H]1C[N@@H+](C/C(Cl)=C/c2ccccc2)C[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000023358505 207276174 /nfs/dbraw/zinc/27/61/74/207276174.db2.gz RQIHCANSYCXIHK-DFKIOILLSA-N 1 2 398.938 2.529 50 0 GFAALO O[C@H]1CN(C/C(Cl)=C/c2ccccc2)C[C@@H]1[NH+]1CCN(c2ccccn2)CC1 ZINC000023358505 207276178 /nfs/dbraw/zinc/27/61/78/207276178.db2.gz RQIHCANSYCXIHK-DFKIOILLSA-N 1 2 398.938 2.529 50 0 GFAALO O=C1C(=O)N(C[N@@H+]2CCC[C@H]2c2cccs2)C(=O)N1Cc1cccs1 ZINC000023805044 207282633 /nfs/dbraw/zinc/28/26/33/207282633.db2.gz GYVGNLSRKNRNDH-ZDUSSCGKSA-N 1 2 375.475 2.895 50 0 GFAALO O=C1C(=O)N(C[N@H+]2CCC[C@H]2c2cccs2)C(=O)N1Cc1cccs1 ZINC000023805044 207282637 /nfs/dbraw/zinc/28/26/37/207282637.db2.gz GYVGNLSRKNRNDH-ZDUSSCGKSA-N 1 2 375.475 2.895 50 0 GFAALO COC(=O)c1ccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccc(C)cc2)cc1 ZINC000024209500 207289185 /nfs/dbraw/zinc/28/91/85/207289185.db2.gz ZMLCMROUSINCBW-FQEVSTJZSA-N 1 2 382.460 2.585 50 0 GFAALO COC(=O)c1ccc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccc(C)cc2)cc1 ZINC000024209507 207289644 /nfs/dbraw/zinc/28/96/44/207289644.db2.gz ZMLCMROUSINCBW-HXUWFJFHSA-N 1 2 382.460 2.585 50 0 GFAALO CC(C)[C@@H](CNC1=NS(=O)(=O)c2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000024745510 207294662 /nfs/dbraw/zinc/29/46/62/207294662.db2.gz HHBONBORHYQPEH-LJQANCHMSA-N 1 2 383.517 2.808 50 0 GFAALO CC(C)[C@@H](CNC1=NS(=O)(=O)c2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000024745510 207294666 /nfs/dbraw/zinc/29/46/66/207294666.db2.gz HHBONBORHYQPEH-LJQANCHMSA-N 1 2 383.517 2.808 50 0 GFAALO O=S(=O)(/C=C/c1ccccc1)N1CC[NH+](Cn2cnc3ccccc32)CC1 ZINC000025748496 207306112 /nfs/dbraw/zinc/30/61/12/207306112.db2.gz GMJVAQUQNMAWDS-XNTDXEJSSA-N 1 2 382.489 2.612 50 0 GFAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)c1cccc(F)c1 ZINC000025160136 207301616 /nfs/dbraw/zinc/30/16/16/207301616.db2.gz XNONRFVTIONTER-LJQANCHMSA-N 1 2 378.407 2.963 50 0 GFAALO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2Cc2ccccc2)CC1 ZINC000025776987 207305640 /nfs/dbraw/zinc/30/56/40/207305640.db2.gz IQUKNFQUXOPSCH-MRXNPFEDSA-N 1 2 399.564 2.849 50 0 GFAALO CC(C)CN1C[C@@H](C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)CC1=O ZINC000029781789 207366545 /nfs/dbraw/zinc/36/65/45/207366545.db2.gz JYCKHFPJTMDBDG-HNNXBMFYSA-N 1 2 378.542 2.818 50 0 GFAALO CN(Cc1ccccc1Cl)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031166511 207380005 /nfs/dbraw/zinc/38/00/05/207380005.db2.gz YZOPFMMFZOJNNI-SFHVURJKSA-N 1 2 383.945 2.689 50 0 GFAALO CC(C)C(=O)N1CC[NH+]([C@H](C(=O)NCc2ccc(F)cc2)C2CCCC2)CC1 ZINC000036253196 207519325 /nfs/dbraw/zinc/51/93/25/207519325.db2.gz TZWXTFLHUCXJAY-FQEVSTJZSA-N 1 2 389.515 2.801 50 0 GFAALO O=S1(=O)C[C@H]2[C@@H](C1)[N@@H+](CC1CC1)CCN2Cc1c(Cl)cccc1Cl ZINC000072411316 208018756 /nfs/dbraw/zinc/01/87/56/208018756.db2.gz KBFKEGGTDPYCIE-SJORKVTESA-N 1 2 389.348 2.687 50 0 GFAALO O=S1(=O)C[C@H]2[C@@H](C1)[N@H+](CC1CC1)CCN2Cc1c(Cl)cccc1Cl ZINC000072411316 208018764 /nfs/dbraw/zinc/01/87/64/208018764.db2.gz KBFKEGGTDPYCIE-SJORKVTESA-N 1 2 389.348 2.687 50 0 GFAALO Cc1ccc(CNC(=O)c2ccc3c(c2)CN(CCCn2cc[nH+]c2)C3=O)o1 ZINC000072447990 208027468 /nfs/dbraw/zinc/02/74/68/208027468.db2.gz IOVLMAKXWNSWMZ-UHFFFAOYSA-N 1 2 378.432 2.761 50 0 GFAALO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000091619899 208125012 /nfs/dbraw/zinc/12/50/12/208125012.db2.gz KYEDYBRNNICIME-CQSZACIVSA-N 1 2 394.397 2.826 50 0 GFAALO Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCCN(C(=O)c2cc3sccc3[nH]2)C1 ZINC000095353346 208158716 /nfs/dbraw/zinc/15/87/16/208158716.db2.gz SYMNBOOVPKOMKR-ZDUSSCGKSA-N 1 2 395.492 2.623 50 0 GFAALO CCn1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)c(C)n1 ZINC000095383698 208172645 /nfs/dbraw/zinc/17/26/45/208172645.db2.gz LMNUPZPTWDXYJY-SFHVURJKSA-N 1 2 378.480 2.871 50 0 GFAALO O=C(Cc1cccc(O)c1)N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000091951906 208142814 /nfs/dbraw/zinc/14/28/14/208142814.db2.gz XYTWLIGXGULBAT-SFHVURJKSA-N 1 2 376.460 2.981 50 0 GFAALO Cn1ncc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)c1N ZINC000095465147 208188449 /nfs/dbraw/zinc/18/84/49/208188449.db2.gz GVQOARVJFDQEEA-UHFFFAOYSA-N 1 2 399.495 2.828 50 0 GFAALO COCc1noc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3Cl)C2)n1 ZINC000095497249 208197061 /nfs/dbraw/zinc/19/70/61/208197061.db2.gz NNJKTIADOVIUGF-CYBMUJFWSA-N 1 2 378.860 2.511 50 0 GFAALO COCc1noc(C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3Cl)C2)n1 ZINC000095497249 208197065 /nfs/dbraw/zinc/19/70/65/208197065.db2.gz NNJKTIADOVIUGF-CYBMUJFWSA-N 1 2 378.860 2.511 50 0 GFAALO Cc1ccc(C(=O)N2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)s1 ZINC000095498851 208197823 /nfs/dbraw/zinc/19/78/23/208197823.db2.gz RODPLEPGIGVZJW-HXUWFJFHSA-N 1 2 386.521 2.867 50 0 GFAALO Cc1ccc(C(=O)N2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)s1 ZINC000095498851 208197831 /nfs/dbraw/zinc/19/78/31/208197831.db2.gz RODPLEPGIGVZJW-HXUWFJFHSA-N 1 2 386.521 2.867 50 0 GFAALO Cc1c2ccc(C)cc2oc1C(=O)N1CCC[C@@H](c2[nH+]ccn2CC(N)=O)C1 ZINC000095503530 208203374 /nfs/dbraw/zinc/20/33/74/208203374.db2.gz KEPAHFJNBONXMS-OAHLLOKOSA-N 1 2 380.448 2.751 50 0 GFAALO CC(C)c1n[nH]c2c1CN(C(=O)Nc1ccccc1C[NH+]1CCOCC1)CC2 ZINC000095506248 208205891 /nfs/dbraw/zinc/20/58/91/208205891.db2.gz HKJMURPIJDKJDX-UHFFFAOYSA-N 1 2 383.496 2.956 50 0 GFAALO O=C(c1ccc(CO)cc1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095521132 208220297 /nfs/dbraw/zinc/22/02/97/208220297.db2.gz YTNPXXCSACPLRK-HXUWFJFHSA-N 1 2 376.460 2.839 50 0 GFAALO O=C(NCCCn1cc[nH+]c1)Nc1cc(C(=O)N2CCCC2)ccc1Cl ZINC000095526229 208226029 /nfs/dbraw/zinc/22/60/29/208226029.db2.gz LIKBWZKQRIGDMN-UHFFFAOYSA-N 1 2 375.860 2.984 50 0 GFAALO O=C(c1ccnc(OCc2ccccc2)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000095957444 208244846 /nfs/dbraw/zinc/24/48/46/208244846.db2.gz JEMXBZBEQOMWIU-NRFANRHFSA-N 1 2 395.503 2.988 50 0 GFAALO Cc1cc(Cl)cc(C)c1NC(=O)N1CCCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000096133219 208268382 /nfs/dbraw/zinc/26/83/82/208268382.db2.gz MJPBVMKOIKZLMZ-KRWDZBQOSA-N 1 2 381.904 2.912 50 0 GFAALO CCCNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)CCc2ccccc2)CC1 ZINC000096280294 208303465 /nfs/dbraw/zinc/30/34/65/208303465.db2.gz CDGDRBWFSHIRBH-JOCHJYFZSA-N 1 2 385.552 2.848 50 0 GFAALO O=C(/C=C/c1ccco1)N1CC[NH+](CCNc2cc(=O)oc3ccccc23)CC1 ZINC000101660288 208395090 /nfs/dbraw/zinc/39/50/90/208395090.db2.gz VTGAHQMLDYLDAG-BQYQJAHWSA-N 1 2 393.443 2.656 50 0 GFAALO C[C@@H]1CN(c2ccc(CNC(=O)c3ccccc3Br)c[nH+]2)CCO1 ZINC000040112389 132396825 /nfs/dbraw/zinc/39/68/25/132396825.db2.gz LNFXLUCYOFYHOO-CYBMUJFWSA-N 1 2 390.281 2.999 50 0 GFAALO O=C(NC[C@H](c1cccnc1)[NH+]1CCN(c2ccccc2)CC1)c1ccco1 ZINC000058133893 136154492 /nfs/dbraw/zinc/15/44/92/136154492.db2.gz LPGMAQVEXRNQJC-HXUWFJFHSA-N 1 2 376.460 2.968 50 0 GFAALO O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN(c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000062022832 136156378 /nfs/dbraw/zinc/15/63/78/136156378.db2.gz UUQZHCMBBAHGLL-CYBMUJFWSA-N 1 2 384.390 2.796 50 0 GFAALO Cc1c(Cl)cccc1NC(=O)NCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000072437649 136170716 /nfs/dbraw/zinc/17/07/16/136170716.db2.gz OWARTBLCHIUDSR-UHFFFAOYSA-N 1 2 390.875 2.509 50 0 GFAALO Cc1c(Cl)cccc1NC(=O)NCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000072437649 136170717 /nfs/dbraw/zinc/17/07/17/136170717.db2.gz OWARTBLCHIUDSR-UHFFFAOYSA-N 1 2 390.875 2.509 50 0 GFAALO CCc1cc(N2CC[NH+](Cc3cc(=O)c4cccc(Cl)c4[nH]3)CC2)ncn1 ZINC000091645289 136176911 /nfs/dbraw/zinc/17/69/11/136176911.db2.gz RQSHTSHDRXNABU-UHFFFAOYSA-N 1 2 383.883 2.856 50 0 GFAALO Cc1nnc(N2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)c2ccccc12 ZINC000095389084 136178827 /nfs/dbraw/zinc/17/88/27/136178827.db2.gz XCUCHEJFNPRJQZ-MRXNPFEDSA-N 1 2 388.479 2.696 50 0 GFAALO CCOc1ccccc1NC(=O)CSc1nc(N2CCOCC2)cc(C)[nH+]1 ZINC000095471993 136179444 /nfs/dbraw/zinc/17/94/44/136179444.db2.gz RBTWMGTUWUBHQK-UHFFFAOYSA-N 1 2 388.493 2.751 50 0 GFAALO O=C(C[NH+]1CCN(c2ccnc(-c3ccccc3)n2)CC1)NC(C1CC1)C1CC1 ZINC000095955994 136182750 /nfs/dbraw/zinc/18/27/50/136182750.db2.gz JVYNWGANELUMTF-UHFFFAOYSA-N 1 2 391.519 2.570 50 0 GFAALO [NH2+]=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1N1CCCCC1 ZINC000104081176 136196548 /nfs/dbraw/zinc/19/65/48/136196548.db2.gz HESQPLIUTFWITD-LSDHHAIUSA-N 1 2 385.942 2.984 50 0 GFAALO COc1ccc(OCC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000011077304 136199423 /nfs/dbraw/zinc/19/94/23/136199423.db2.gz PVMSYDHCNLRKPB-UHFFFAOYSA-N 1 2 384.480 2.645 50 0 GFAALO Cc1ccc(-c2csc(=O)n2CC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000011464350 136199626 /nfs/dbraw/zinc/19/96/26/136199626.db2.gz RNQFQZOLYLBPTF-UHFFFAOYSA-N 1 2 394.500 2.629 50 0 GFAALO O=C(c1ccccc1I)N1CCN(c2cccc[nH+]2)CC1 ZINC000018220276 136202303 /nfs/dbraw/zinc/20/23/03/136202303.db2.gz OJDKKAYHRJRALP-UHFFFAOYSA-N 1 2 393.228 2.649 50 0 GFAALO COc1ccccc1N1CC[NH+]([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 ZINC000100313965 537070452 /nfs/dbraw/zinc/07/04/52/537070452.db2.gz RLHHFQYPQCJASJ-SFHVURJKSA-N 1 2 399.878 2.803 50 0 GFAALO O=C(CCNC(=O)c1ccccc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000012816682 570231283 /nfs/dbraw/zinc/23/12/83/570231283.db2.gz IBLHDEORZYDFNG-UHFFFAOYSA-N 1 2 385.895 2.804 50 0 GFAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)[C@@H]1CCCN(c2ncccn2)C1 ZINC000048355008 570243478 /nfs/dbraw/zinc/24/34/78/570243478.db2.gz UOYOBGIRPYPTQJ-LJQANCHMSA-N 1 2 394.523 2.785 50 0 GFAALO COc1ccc2[nH]c3c(c(=O)c2c1)C[N@H+](CC(=O)Nc1ccccc1C)CC3 ZINC000048987817 570256916 /nfs/dbraw/zinc/25/69/16/570256916.db2.gz WLXQBDJUYPDGNZ-UHFFFAOYSA-N 1 2 377.444 2.842 50 0 GFAALO COc1ccc2[nH]c3c(c(=O)c2c1)C[N@@H+](CC(=O)Nc1ccccc1C)CC3 ZINC000048987817 570256919 /nfs/dbraw/zinc/25/69/19/570256919.db2.gz WLXQBDJUYPDGNZ-UHFFFAOYSA-N 1 2 377.444 2.842 50 0 GFAALO C[C@@H](NC(=O)CN1CCc2ccccc21)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000035269250 570278795 /nfs/dbraw/zinc/27/87/95/570278795.db2.gz LJIBIAJJOYQWNV-JPYJTQIMSA-N 1 2 379.504 2.627 50 0 GFAALO Cn1c(C(=O)N2CC[N@H+](Cc3ccco3)[C@@H](CCO)C2)cc2cc(F)ccc21 ZINC000215060149 570284995 /nfs/dbraw/zinc/28/49/95/570284995.db2.gz YMBRGVWJNVWGMB-KRWDZBQOSA-N 1 2 385.439 2.619 50 0 GFAALO Cn1c(C(=O)N2CC[N@@H+](Cc3ccco3)[C@@H](CCO)C2)cc2cc(F)ccc21 ZINC000215060149 570284998 /nfs/dbraw/zinc/28/49/98/570284998.db2.gz YMBRGVWJNVWGMB-KRWDZBQOSA-N 1 2 385.439 2.619 50 0 GFAALO COc1ccc(CN2CC[NH+](Cc3cccnc3)CC2)cc1Cn1cccn1 ZINC000215684658 570290726 /nfs/dbraw/zinc/29/07/26/570290726.db2.gz HSDNLGNJPVYSAY-UHFFFAOYSA-N 1 2 377.492 2.653 50 0 GFAALO O=C(Nc1ccccc1)N1CCO[C@H](C[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000034685859 570302049 /nfs/dbraw/zinc/30/20/49/570302049.db2.gz HJXIEPZWALBEFJ-LJQANCHMSA-N 1 2 398.482 2.881 50 0 GFAALO Cn1c2cn(-c3ccc([NH+](C)C)cc3)c(-c3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000012321850 570313961 /nfs/dbraw/zinc/31/39/61/570313961.db2.gz HLLSZIATMZKMHG-UHFFFAOYSA-N 1 2 392.434 2.900 50 0 GFAALO O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000219192744 570349372 /nfs/dbraw/zinc/34/93/72/570349372.db2.gz FVAFBTQKFRGBIO-IAGOWNOFSA-N 1 2 384.461 2.637 50 0 GFAALO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)C[C@H](C)O1 ZINC000022612615 570371665 /nfs/dbraw/zinc/37/16/65/570371665.db2.gz DOJPEFRCUZPSKF-CALCHBBNSA-N 1 2 394.475 2.971 50 0 GFAALO C[C@@H]1C[N@H+](CCNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)C[C@H](C)O1 ZINC000022612615 570371668 /nfs/dbraw/zinc/37/16/68/570371668.db2.gz DOJPEFRCUZPSKF-CALCHBBNSA-N 1 2 394.475 2.971 50 0 GFAALO Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000004892259 570415809 /nfs/dbraw/zinc/41/58/09/570415809.db2.gz SVGBTGFFBPAPJY-RGEXLXHISA-N 1 2 378.432 2.762 50 0 GFAALO Cc1ccc(C(=O)N/C(=C/c2cccnc2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000001752932 570421935 /nfs/dbraw/zinc/42/19/35/570421935.db2.gz 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GFAALO CC[C@@H](NS(=O)(=O)c1cccc(C(=O)N(CC)CC)c1)c1[nH]cc(C)[nH+]1 ZINC000095352338 208158783 /nfs/dbraw/zinc/15/87/83/208158783.db2.gz MUQSBIKXXVJTBH-MRXNPFEDSA-N 1 2 378.498 2.630 50 0 GFAALO Cc1nc(C[NH+]2CCC3(CCC(=O)N(CCc4ccccc4)C3)CC2)n(C)n1 ZINC000095362460 208162182 /nfs/dbraw/zinc/16/21/82/208162182.db2.gz FTIMUZAZQVUTTQ-UHFFFAOYSA-N 1 2 381.524 2.571 50 0 GFAALO Cc1cc(C(=O)N2CCC(c3nnc(C[NH+]4CCCC4)n3C3CC3)CC2)no1 ZINC000096149333 208276207 /nfs/dbraw/zinc/27/62/07/208276207.db2.gz NRGUVDRGHBFMGZ-UHFFFAOYSA-N 1 2 384.484 2.525 50 0 GFAALO CCc1[nH+]c2cc(NC(=O)N3Cc4nc(C)n(C)c(=O)c4C3)ccc2n1CC ZINC000096153060 208277015 /nfs/dbraw/zinc/27/70/15/208277015.db2.gz BITVUTXPSCFJJN-UHFFFAOYSA-N 1 2 380.452 2.568 50 0 GFAALO Cc1ncc(CN2CC[NH+](Cc3cccc(OC(=S)N(C)C)c3)CC2)s1 ZINC000095997228 208251994 /nfs/dbraw/zinc/25/19/94/208251994.db2.gz UXUYLRLOXIWHOI-UHFFFAOYSA-N 1 2 390.578 2.995 50 0 GFAALO Cc1ncc(C[NH+]2CCN(Cc3cccc(OC(=S)N(C)C)c3)CC2)s1 ZINC000095997228 208251998 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COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000007050253 570764867 /nfs/dbraw/zinc/76/48/67/570764867.db2.gz JMXXAKNVHGREHF-AWEZNQCLSA-N 1 2 387.461 2.929 50 0 GFAALO COc1ccccc1Nc1nc(N)nc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000012516643 570825751 /nfs/dbraw/zinc/82/57/51/570825751.db2.gz RXWCLHBDMVEYFJ-NSHDSACASA-N 1 2 382.390 2.980 50 0 GFAALO COc1ccccc1Nc1nc(N)nc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000012516643 570825755 /nfs/dbraw/zinc/82/57/55/570825755.db2.gz RXWCLHBDMVEYFJ-NSHDSACASA-N 1 2 382.390 2.980 50 0 GFAALO O=C(CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)NCC(F)(F)F ZINC000012533880 570834786 /nfs/dbraw/zinc/83/47/86/570834786.db2.gz SCRYHZSLWJDFPW-UHFFFAOYSA-N 1 2 399.442 2.634 50 0 GFAALO O=c1c(Cl)c(N2CC[NH+](CCc3ccccn3)CC2)cnn1-c1ccccc1 ZINC000012543142 570843632 /nfs/dbraw/zinc/84/36/32/570843632.db2.gz UULAPXQWJVTJCF-UHFFFAOYSA-N 1 2 395.894 2.646 50 0 GFAALO C[C@@H]1CN(C(=O)c2nc3sccn3c2C[N@H+](C)Cc2ccoc2)C[C@H](C)O1 ZINC000071745182 570845262 /nfs/dbraw/zinc/84/52/62/570845262.db2.gz JQWYGWMGECNGJF-OKILXGFUSA-N 1 2 388.493 2.870 50 0 GFAALO C[C@@H]1CN(C(=O)c2nc3sccn3c2C[N@@H+](C)Cc2ccoc2)C[C@H](C)O1 ZINC000071745182 570845263 /nfs/dbraw/zinc/84/52/63/570845263.db2.gz JQWYGWMGECNGJF-OKILXGFUSA-N 1 2 388.493 2.870 50 0 GFAALO Cc1[nH+]cn(-c2cc(NCCNC(=O)Nc3ccc(C)c(F)c3)ncn2)c1C ZINC000072116016 570866584 /nfs/dbraw/zinc/86/65/84/570866584.db2.gz PGLOULJFETXROJ-UHFFFAOYSA-N 1 2 383.431 2.960 50 0 GFAALO COc1ccccc1[C@H](c1[nH+]ccn1C)N1C(=O)CN(Cc2ccccc2)C1=O ZINC000170613721 570870873 /nfs/dbraw/zinc/87/08/73/570870873.db2.gz OHCQFZNMUAKYQQ-HXUWFJFHSA-N 1 2 390.443 2.983 50 0 GFAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)OCC)C2)c1C ZINC000105119480 570915553 /nfs/dbraw/zinc/91/55/53/570915553.db2.gz WRCIABDVMDFQBI-HUUCEWRRSA-N 1 2 378.469 2.655 50 0 GFAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)OCC)C2)c1C ZINC000105119480 570915563 /nfs/dbraw/zinc/91/55/63/570915563.db2.gz WRCIABDVMDFQBI-HUUCEWRRSA-N 1 2 378.469 2.655 50 0 GFAALO COc1c2c(c(NC(=O)c3ccc(Cl)nc3)c3c1C[N@H+](C)CC3)OCO2 ZINC000032123994 570963281 /nfs/dbraw/zinc/96/32/81/570963281.db2.gz JENZUIAGNGIUBG-UHFFFAOYSA-N 1 2 375.812 2.713 50 0 GFAALO COc1c2c(c(NC(=O)c3ccc(Cl)nc3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000032123994 570963284 /nfs/dbraw/zinc/96/32/84/570963284.db2.gz JENZUIAGNGIUBG-UHFFFAOYSA-N 1 2 375.812 2.713 50 0 GFAALO C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000045113568 570987475 /nfs/dbraw/zinc/98/74/75/570987475.db2.gz PORSXFITDGVRNY-OAHLLOKOSA-N 1 2 388.512 2.506 50 0 GFAALO CC(C)Cn1c(CCC(N)=O)nnc1SCc1cn2cc(Cl)ccc2[nH+]1 ZINC000007674208 571014568 /nfs/dbraw/zinc/01/45/68/571014568.db2.gz ZJOYYWSSYXJCIC-UHFFFAOYSA-N 1 2 392.916 2.945 50 0 GFAALO Cc1ccccc1C(=O)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000091595972 571017318 /nfs/dbraw/zinc/01/73/18/571017318.db2.gz NAEAKBMGVXIOII-UHFFFAOYSA-N 1 2 378.476 2.644 50 0 GFAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC(O)CC4)csc3C2)nc1 ZINC000426668310 529643708 /nfs/dbraw/zinc/64/37/08/529643708.db2.gz KZQPGLMYRKGAGK-UHFFFAOYSA-N 1 2 385.533 2.861 50 0 GFAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCC(O)CC4)csc3C2)nc1 ZINC000426668310 529643712 /nfs/dbraw/zinc/64/37/12/529643712.db2.gz KZQPGLMYRKGAGK-UHFFFAOYSA-N 1 2 385.533 2.861 50 0 GFAALO CCN(CC)c1[nH+]cccc1CNC(=O)CN1C[C@@H](c2ccccc2)CC1=O ZINC000019111181 210225009 /nfs/dbraw/zinc/22/50/09/210225009.db2.gz GBGQKBPSJFVWHL-IBGZPJMESA-N 1 2 380.492 2.560 50 0 GFAALO Cc1ccc(CN2C(=O)C[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000017877422 210211790 /nfs/dbraw/zinc/21/17/90/210211790.db2.gz MLJOPXSOFRHQJB-FQEVSTJZSA-N 1 2 381.451 2.584 50 0 GFAALO CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000016833593 210198989 /nfs/dbraw/zinc/19/89/89/210198989.db2.gz KQVZSHSSDQUONA-QFIPXVFZSA-N 1 2 379.460 2.868 50 0 GFAALO CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+]2CCc3ccccc3C2)C1=O ZINC000016833593 210198992 /nfs/dbraw/zinc/19/89/92/210198992.db2.gz KQVZSHSSDQUONA-QFIPXVFZSA-N 1 2 379.460 2.868 50 0 GFAALO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@@H](C)c1cc(C)ccc1OC)[nH]c2=O ZINC000016694709 210194876 /nfs/dbraw/zinc/19/48/76/210194876.db2.gz SLCGPEOVHDUWTB-ZDUSSCGKSA-N 1 2 381.432 2.878 50 0 GFAALO C[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)C[C@H]1COc2ccccc2O1 ZINC000016629154 210192694 /nfs/dbraw/zinc/19/26/94/210192694.db2.gz QMAOMDSVKSTDSE-HNNXBMFYSA-N 1 2 378.375 2.998 50 0 GFAALO C[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)C[C@H]1COc2ccccc2O1 ZINC000016629154 210192697 /nfs/dbraw/zinc/19/26/97/210192697.db2.gz QMAOMDSVKSTDSE-HNNXBMFYSA-N 1 2 378.375 2.998 50 0 GFAALO CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCN(c2ccccc2O)CC1 ZINC000015378366 210155562 /nfs/dbraw/zinc/15/55/62/210155562.db2.gz NZVMDCWGNXSOPW-UHFFFAOYSA-N 1 2 379.913 2.888 50 0 GFAALO COc1ccccc1N1CCN(c2[nH+]cccc2CNc2cnccn2)CC1 ZINC000015074281 210151021 /nfs/dbraw/zinc/15/10/21/210151021.db2.gz PXFLHPWCJXMSHT-UHFFFAOYSA-N 1 2 376.464 2.819 50 0 GFAALO O=C(NCc1c[nH+]c2ccccn12)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000015068197 210147187 /nfs/dbraw/zinc/14/71/87/210147187.db2.gz SRNBTCUKIXKADY-KRWDZBQOSA-N 1 2 394.450 2.571 50 0 GFAALO Cc1cc(N2CCN(CC(=O)N(C)Cc3ccccc3C)CC2)nc(C(C)C)[nH+]1 ZINC000013010832 210046318 /nfs/dbraw/zinc/04/63/18/210046318.db2.gz MYUGSSHXMBFQCG-UHFFFAOYSA-N 1 2 395.551 2.997 50 0 GFAALO O=C1C=C(N2CC[NH+](C[C@@H]3COc4ccccc4O3)CC2)C2(CCCCC2)O1 ZINC000012860126 210018658 /nfs/dbraw/zinc/01/86/58/210018658.db2.gz ZILCKZPUUGNTNU-QGZVFWFLSA-N 1 2 384.476 2.588 50 0 GFAALO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc4c(c3)OCC(=O)N4)n2)C1 ZINC000012812979 210014706 /nfs/dbraw/zinc/01/47/06/210014706.db2.gz RGECDVGRSTUTDO-LBPRGKRZSA-N 1 2 386.477 2.958 50 0 GFAALO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc4c(c3)OCC(=O)N4)n2)C1 ZINC000012812979 210014712 /nfs/dbraw/zinc/01/47/12/210014712.db2.gz RGECDVGRSTUTDO-LBPRGKRZSA-N 1 2 386.477 2.958 50 0 GFAALO CCn1ccnc1C[NH+]1CCC(Oc2cc(OC)ccc2C(=O)NC2CC2)CC1 ZINC000012433270 209954316 /nfs/dbraw/zinc/95/43/16/209954316.db2.gz LVEIFNQMTUXLDC-UHFFFAOYSA-N 1 2 398.507 2.847 50 0 GFAALO c1ccc(CCN2Cn3c4ccccc4nc3N(CC[NH+]3CCOCC3)C2)cc1 ZINC000006660881 209665783 /nfs/dbraw/zinc/66/57/83/209665783.db2.gz ADCCLQPJVIDXGR-UHFFFAOYSA-N 1 2 391.519 2.648 50 0 GFAALO CCCCCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[NH2+]CC3)cc21 ZINC000002273238 209353886 /nfs/dbraw/zinc/35/38/86/209353886.db2.gz FMDUJJSTIPLBKE-UHFFFAOYSA-N 1 2 375.444 2.829 50 0 GFAALO O=S(=O)(c1ccccc1OC(F)(F)F)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151164877 209246897 /nfs/dbraw/zinc/24/68/97/209246897.db2.gz FGUVEBAYKNYYBO-CYBMUJFWSA-N 1 2 388.367 2.822 50 0 GFAALO CCOc1cccc(C[NH2+][C@@H]2CNC(=O)c3cc(-c4ccc(OC)cc4)nn32)c1 ZINC000263617966 209225701 /nfs/dbraw/zinc/22/57/01/209225701.db2.gz QRKKWMVEHUANKN-NRFANRHFSA-N 1 2 392.459 2.989 50 0 GFAALO Cn1nc(C(=O)N(CCCn2cc[nH+]c2)Cc2cccnc2)c2c1CCCC2 ZINC000097660664 211368340 /nfs/dbraw/zinc/36/83/40/211368340.db2.gz VRNPLTFJCSABHL-UHFFFAOYSA-N 1 2 378.480 2.623 50 0 GFAALO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)/C=C\c2cccc(C(F)(F)F)c2)CC1 ZINC000096935695 211353679 /nfs/dbraw/zinc/35/36/79/211353679.db2.gz MAOOVSMCFZFXQB-BMWLXYDHSA-N 1 2 395.425 2.530 50 0 GFAALO COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c2[nH]s[nH+]c-2ccc1=O ZINC000096224070 211318836 /nfs/dbraw/zinc/31/88/36/211318836.db2.gz VAASZGIDFWDATN-SNVBAGLBSA-N 1 2 390.417 2.815 50 0 GFAALO COc1ccc(C(=O)N2CCC(c3nnc(C[NH+]4CCCC4)n3C)CC2)c(C)c1 ZINC000096139238 211306258 /nfs/dbraw/zinc/30/62/58/211306258.db2.gz KQKVMCUWVOIVKS-UHFFFAOYSA-N 1 2 397.523 2.748 50 0 GFAALO COc1ncccc1C(=O)N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095530638 211274951 /nfs/dbraw/zinc/27/49/51/211274951.db2.gz FYCJGRXGEIZATC-AWEZNQCLSA-N 1 2 383.477 2.811 50 0 GFAALO O=C(c1cccc(Cl)c1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000095525717 211271584 /nfs/dbraw/zinc/27/15/84/211271584.db2.gz WJXUTCRKJZBHOH-UHFFFAOYSA-N 1 2 398.894 2.989 50 0 GFAALO O=C(c1n[nH]c2c1CCCC2)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000095526487 211271446 /nfs/dbraw/zinc/27/14/46/211271446.db2.gz POCWYAGUOCXZDA-UHFFFAOYSA-N 1 2 390.491 2.948 50 0 GFAALO COc1ccc(F)cc1C[NH+]1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 ZINC000095521660 211267954 /nfs/dbraw/zinc/26/79/54/211267954.db2.gz OBGDTTOYORJVFZ-UHFFFAOYSA-N 1 2 398.482 2.843 50 0 GFAALO O=S(=O)(c1ccccc1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095510934 211261421 /nfs/dbraw/zinc/26/14/21/211261421.db2.gz TWTJPSHYYDQBCK-QGZVFWFLSA-N 1 2 382.489 2.895 50 0 GFAALO Cc1ccc(C(=O)N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(=O)C2CC2)cc1C ZINC000095506941 211256830 /nfs/dbraw/zinc/25/68/30/211256830.db2.gz PLYVVRZJORFOJQ-UHFFFAOYSA-N 1 2 392.503 2.953 50 0 GFAALO CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc[nH+]cc2O)cc1 ZINC000095394597 211239083 /nfs/dbraw/zinc/23/90/83/211239083.db2.gz OUYJOSZUKNBGOT-UHFFFAOYSA-N 1 2 383.429 2.865 50 0 GFAALO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cnc(-c3ccccn3)[nH]c2=O)cc1 ZINC000091974275 211212504 /nfs/dbraw/zinc/21/25/04/211212504.db2.gz USZMYNHNRVFVCC-UHFFFAOYSA-N 1 2 386.415 2.668 50 0 GFAALO O=C(CCC(F)(F)F)N1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091965842 211211949 /nfs/dbraw/zinc/21/19/49/211211949.db2.gz HRGAKFZMLIXBGI-KRWDZBQOSA-N 1 2 386.418 2.526 50 0 GFAALO O=C(CCC(F)(F)F)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091965842 211211954 /nfs/dbraw/zinc/21/19/54/211211954.db2.gz HRGAKFZMLIXBGI-KRWDZBQOSA-N 1 2 386.418 2.526 50 0 GFAALO Cc1cnc(CN2CC3(CCC2=O)CC[NH+](Cc2noc(C(C)C)n2)CC3)cn1 ZINC000092066634 211215206 /nfs/dbraw/zinc/21/52/06/211215206.db2.gz OIQXYITWBCOBEL-UHFFFAOYSA-N 1 2 398.511 2.696 50 0 GFAALO C[C@@H](NS(=O)(=O)c1ccc(C(=O)NC2CCCCC2)cc1)c1[nH]cc[nH+]1 ZINC000092022542 211212778 /nfs/dbraw/zinc/21/27/78/211212778.db2.gz TWACOFSHGQXVJU-CYBMUJFWSA-N 1 2 376.482 2.512 50 0 GFAALO CCc1n[nH]c(C(=O)NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)c1C ZINC000091756343 211205373 /nfs/dbraw/zinc/20/53/73/211205373.db2.gz QGHSTSXAMBJEKE-UHFFFAOYSA-N 1 2 384.528 2.945 50 0 GFAALO CCc1n[nH]c(C(=O)NCc2cc3n(n2)CCC[N@H+](C2CCCCC2)C3)c1C ZINC000091756343 211205376 /nfs/dbraw/zinc/20/53/76/211205376.db2.gz QGHSTSXAMBJEKE-UHFFFAOYSA-N 1 2 384.528 2.945 50 0 GFAALO CC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1ccc(C)c(Cl)c1)CC2 ZINC000091351016 211189350 /nfs/dbraw/zinc/18/93/50/211189350.db2.gz QBKWQSHLFAKLNY-UHFFFAOYSA-N 1 2 386.883 2.908 50 0 GFAALO O=C(NCc1ccco1)[C@H]1CCC[N@H+]1Cc1ccc(OCC(F)(F)F)nc1 ZINC000079109594 211155971 /nfs/dbraw/zinc/15/59/71/211155971.db2.gz NQIJWKWMZOLCHN-OAHLLOKOSA-N 1 2 383.370 2.897 50 0 GFAALO O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1Cc1ccc(OCC(F)(F)F)nc1 ZINC000079109594 211155974 /nfs/dbraw/zinc/15/59/74/211155974.db2.gz NQIJWKWMZOLCHN-OAHLLOKOSA-N 1 2 383.370 2.897 50 0 GFAALO COC(=O)[C@H](O)C1CC[NH+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000083884288 211166021 /nfs/dbraw/zinc/16/60/21/211166021.db2.gz KQSDPANWSZMLKJ-OAHLLOKOSA-N 1 2 399.369 2.501 50 0 GFAALO Cc1c(C(=O)N2CC[NH+](Cc3ncccc3C)CC2)c2cc(O)ccc2n1C ZINC000072419042 211116214 /nfs/dbraw/zinc/11/62/14/211116214.db2.gz RNKCFGKZGVMVNY-UHFFFAOYSA-N 1 2 378.476 2.854 50 0 GFAALO Cc1noc2ncc(C(=O)N3CCCN(c4[nH]c5ccccc5[nH+]4)CC3)cc12 ZINC000072280514 211085471 /nfs/dbraw/zinc/08/54/71/211085471.db2.gz LFCDWSXVVBXJKT-UHFFFAOYSA-N 1 2 376.420 2.760 50 0 GFAALO CCN(CC)C(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000072143635 211075453 /nfs/dbraw/zinc/07/54/53/211075453.db2.gz HOCRAURYVMHLIG-OAQYLSRUSA-N 1 2 379.504 2.913 50 0 GFAALO CCN(CC)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000072143635 211075457 /nfs/dbraw/zinc/07/54/57/211075457.db2.gz HOCRAURYVMHLIG-OAQYLSRUSA-N 1 2 379.504 2.913 50 0 GFAALO CC(C)(C)NC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000072161499 211078501 /nfs/dbraw/zinc/07/85/01/211078501.db2.gz BOJNGFRSSLNOCV-FQEVSTJZSA-N 1 2 379.504 2.959 50 0 GFAALO CC(C)(C)NC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000072161499 211078504 /nfs/dbraw/zinc/07/85/04/211078504.db2.gz BOJNGFRSSLNOCV-FQEVSTJZSA-N 1 2 379.504 2.959 50 0 GFAALO Cc1nn2c(nc(C[N@@H+]3CCC[C@@H](C(=O)CCc4ccccc4)C3)cc2=O)[nH]1 ZINC000072135564 211073619 /nfs/dbraw/zinc/07/36/19/211073619.db2.gz UIIDXHUESPGNOD-QGZVFWFLSA-N 1 2 379.464 2.552 50 0 GFAALO Cc1nn2c(nc(C[N@H+]3CCC[C@@H](C(=O)CCc4ccccc4)C3)cc2=O)[nH]1 ZINC000072135564 211073623 /nfs/dbraw/zinc/07/36/23/211073623.db2.gz UIIDXHUESPGNOD-QGZVFWFLSA-N 1 2 379.464 2.552 50 0 GFAALO Cc1n[nH]c(CCC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)n1 ZINC000072141792 211073590 /nfs/dbraw/zinc/07/35/90/211073590.db2.gz DJKZALDHJAEYDR-IBGZPJMESA-N 1 2 387.503 2.944 50 0 GFAALO Cc1n[nH]c(CCC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)n1 ZINC000072141792 211073595 /nfs/dbraw/zinc/07/35/95/211073595.db2.gz DJKZALDHJAEYDR-IBGZPJMESA-N 1 2 387.503 2.944 50 0 GFAALO CCc1cnc(NCc2cccnc2N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000071315354 211043832 /nfs/dbraw/zinc/04/38/32/211043832.db2.gz VBRFGAWOPVINOP-UHFFFAOYSA-N 1 2 375.480 2.768 50 0 GFAALO Cc1n[nH]c(C)c1C[C@H](C)[N@@H+]1CCn2nc(C(=O)Nc3ccccc3)cc2C1 ZINC000067851508 211025266 /nfs/dbraw/zinc/02/52/66/211025266.db2.gz 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/nfs/dbraw/zinc/37/19/81/570371981.db2.gz HKEBYLZFTINVOE-QGZVFWFLSA-N 1 2 386.521 2.531 50 0 GFAALO O=C(c1ccc(O)c(Cl)c1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000024177784 570380069 /nfs/dbraw/zinc/38/00/69/570380069.db2.gz KMJLWTYSFJTQNJ-UHFFFAOYSA-N 1 2 388.851 2.775 50 0 GFAALO O=C1C[C@H]([NH+]2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000004622769 570388266 /nfs/dbraw/zinc/38/82/66/570388266.db2.gz ZMDDHPOHVIMAIS-SFHVURJKSA-N 1 2 387.842 2.933 50 0 GFAALO CC(C)(C)OC(=O)N1CC[NH+](C[C@H]2CN(c3ccc(F)cc3)C(=O)O2)CC1 ZINC000221540686 570395941 /nfs/dbraw/zinc/39/59/41/570395941.db2.gz BISZYWQYJMNIOL-INIZCTEOSA-N 1 2 379.432 2.704 50 0 GFAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cncc(Br)c1 ZINC000024001865 570397634 /nfs/dbraw/zinc/39/76/34/570397634.db2.gz CIEHXJOAGURMOM-UHFFFAOYSA-N 1 2 376.254 2.929 50 0 GFAALO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000025425447 570413740 /nfs/dbraw/zinc/41/37/40/570413740.db2.gz KCSSARFKNKMYIP-UHFFFAOYSA-N 1 2 390.487 2.910 50 0 GFAALO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)c1cccs1 ZINC000025777986 570419580 /nfs/dbraw/zinc/41/95/80/570419580.db2.gz ADDCDFABQKLUEF-CYBMUJFWSA-N 1 2 386.926 2.838 50 0 GFAALO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3Cl)n2C)CC1 ZINC000025784817 570419949 /nfs/dbraw/zinc/41/99/49/570419949.db2.gz OIWLRMYGASBDSY-CYBMUJFWSA-N 1 2 393.944 2.780 50 0 GFAALO Cc1cc(N2CC[NH+]([C@H](C)c3nc4ccccc4s3)CC2)n2ncnc2n1 ZINC000026759138 570428367 /nfs/dbraw/zinc/42/83/67/570428367.db2.gz CBHXBOLLEYFQKF-CQSZACIVSA-N 1 2 379.493 2.926 50 0 GFAALO CCOC(=O)C1C(C[N@@H+]2CCc3ccccc3C2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000028891905 570465646 /nfs/dbraw/zinc/46/56/46/570465646.db2.gz UTVNRJIBZRHRAE-OAQYLSRUSA-N 1 2 391.471 2.916 50 0 GFAALO CCOC(=O)C1C(C[N@H+]2CCc3ccccc3C2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000028891905 570465651 /nfs/dbraw/zinc/46/56/51/570465651.db2.gz UTVNRJIBZRHRAE-OAQYLSRUSA-N 1 2 391.471 2.916 50 0 GFAALO CCOC(=O)C1=C(C[N@@H+]2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccccc1 ZINC000028891905 570465655 /nfs/dbraw/zinc/46/56/55/570465655.db2.gz UTVNRJIBZRHRAE-OAQYLSRUSA-N 1 2 391.471 2.916 50 0 GFAALO CCOC(=O)C1=C(C[N@H+]2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccccc1 ZINC000028891905 570465660 /nfs/dbraw/zinc/46/56/60/570465660.db2.gz UTVNRJIBZRHRAE-OAQYLSRUSA-N 1 2 391.471 2.916 50 0 GFAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)N1CCN(c2ccccc2)CC1 ZINC000029658278 570477733 /nfs/dbraw/zinc/47/77/33/570477733.db2.gz DEXBYBPWWUZDIO-UHFFFAOYSA-N 1 2 394.519 2.551 50 0 GFAALO Cc1ccc(-c2noc(-c3cccc(S(=O)(=O)N4CC[NH+](C)CC4)c3)n2)cc1 ZINC000064610902 570497530 /nfs/dbraw/zinc/49/75/30/570497530.db2.gz CQBWHQJZZGWHEA-UHFFFAOYSA-N 1 2 398.488 2.648 50 0 GFAALO CC[C@@H](C)CN1C(=O)[C@@H](CC(C)C)[NH2+]C12CCN(C(=S)NC(C)C)CC2 ZINC000036032800 570515791 /nfs/dbraw/zinc/51/57/91/570515791.db2.gz RRTQAKVHTLMEEL-IAGOWNOFSA-N 1 2 382.618 2.954 50 0 GFAALO CCCCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000006657708 570522125 /nfs/dbraw/zinc/52/21/25/570522125.db2.gz XVOJQBNLGJSAGC-UHFFFAOYSA-N 1 2 375.436 2.993 50 0 GFAALO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000036090967 570532850 /nfs/dbraw/zinc/53/28/50/570532850.db2.gz JLJREGUFYOCBIZ-SFHVURJKSA-N 1 2 395.912 2.880 50 0 GFAALO O=C(C[NH+]1CCC(NC(=O)c2ccccc2)CC1)Nc1ccnn1C1CCCC1 ZINC000011101214 570541919 /nfs/dbraw/zinc/54/19/19/570541919.db2.gz KTVYMKOVSKEHAE-UHFFFAOYSA-N 1 2 395.507 2.831 50 0 GFAALO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCN(c3ccc(O)cc3)CC2)c1C ZINC000034868023 570545690 /nfs/dbraw/zinc/54/56/90/570545690.db2.gz OXWXXDYYAOAOGV-HNNXBMFYSA-N 1 2 385.464 2.517 50 0 GFAALO Cc1c(Cl)cccc1NC(=O)N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000035598121 570555180 /nfs/dbraw/zinc/55/51/80/570555180.db2.gz ORWHVIRTIRRWNG-UHFFFAOYSA-N 1 2 397.870 2.978 50 0 GFAALO CCCO[C@@H]1CCCN(c2ccc(C(=O)N(CC)Cc3[nH+]ccn3C)cn2)C1 ZINC000011664492 570578518 /nfs/dbraw/zinc/57/85/18/570578518.db2.gz OAJSTALJQYMTLV-GOSISDBHSA-N 1 2 385.512 2.873 50 0 GFAALO CC(=O)N1CCN(c2ncccc2C[NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000011842539 570587304 /nfs/dbraw/zinc/58/73/04/570587304.db2.gz FIZISTWUGQAXGL-UHFFFAOYSA-N 1 2 376.863 2.832 50 0 GFAALO CCCNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2OC)CC1 ZINC000036253177 570587692 /nfs/dbraw/zinc/58/76/92/570587692.db2.gz PXZULDPDAJTEPG-HXUWFJFHSA-N 1 2 387.524 2.538 50 0 GFAALO CCn1cc(C[N@@H+]2CCN(Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)c(C)n1 ZINC000039394082 570590866 /nfs/dbraw/zinc/59/08/66/570590866.db2.gz MEGWZDFNTLAYJO-OAQYLSRUSA-N 1 2 386.540 2.597 50 0 GFAALO CCn1cc(C[N@H+]2CCN(Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)c(C)n1 ZINC000039394082 570590868 /nfs/dbraw/zinc/59/08/68/570590868.db2.gz MEGWZDFNTLAYJO-OAQYLSRUSA-N 1 2 386.540 2.597 50 0 GFAALO COCc1ccc(C[N@@H+]2CCN(Cc3ccc(OC)cc3F)[C@H](CCO)C2)o1 ZINC000039421084 570591523 /nfs/dbraw/zinc/59/15/23/570591523.db2.gz OHWOUXUCIKGUEQ-QGZVFWFLSA-N 1 2 392.471 2.643 50 0 GFAALO COCc1ccc(C[N@H+]2CCN(Cc3ccc(OC)cc3F)[C@H](CCO)C2)o1 ZINC000039421084 570591525 /nfs/dbraw/zinc/59/15/25/570591525.db2.gz OHWOUXUCIKGUEQ-QGZVFWFLSA-N 1 2 392.471 2.643 50 0 GFAALO CCn1cc[nH+]c1CN(C)Cc1c(C(=O)N2CCCCC2)nc2sccn12 ZINC000011936093 570593679 /nfs/dbraw/zinc/59/36/79/570593679.db2.gz BUFMSMRVKFRFNX-UHFFFAOYSA-N 1 2 386.525 2.870 50 0 GFAALO COC(=O)c1ccc(-c2noc(C[N@H+](C)C[C@@H]3Cc4ccccc4O3)n2)cc1 ZINC000012432229 570660214 /nfs/dbraw/zinc/66/02/14/570660214.db2.gz UZZWDKIPPAXQQO-KRWDZBQOSA-N 1 2 379.416 2.959 50 0 GFAALO COC(=O)c1ccc(-c2noc(C[N@@H+](C)C[C@@H]3Cc4ccccc4O3)n2)cc1 ZINC000012432229 570660218 /nfs/dbraw/zinc/66/02/18/570660218.db2.gz UZZWDKIPPAXQQO-KRWDZBQOSA-N 1 2 379.416 2.959 50 0 GFAALO Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)Nc1ccc2[nH+]cn(C)c2c1 ZINC000012462424 570670762 /nfs/dbraw/zinc/67/07/62/570670762.db2.gz WFQCKYDNMKHYOH-UHFFFAOYSA-N 1 2 384.461 2.809 50 0 GFAALO COc1ccc(Cc2noc(C[N@H+](CCO)Cc3ccccc3)n2)cc1OC ZINC000012580658 570683756 /nfs/dbraw/zinc/68/37/56/570683756.db2.gz HFJQNVWKIXMOII-UHFFFAOYSA-N 1 2 383.448 2.672 50 0 GFAALO COc1ccc(Cc2noc(C[N@@H+](CCO)Cc3ccccc3)n2)cc1OC ZINC000012580658 570683759 /nfs/dbraw/zinc/68/37/59/570683759.db2.gz HFJQNVWKIXMOII-UHFFFAOYSA-N 1 2 383.448 2.672 50 0 GFAALO C[N@@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)C[C@H]1COc2ccccc2O1 ZINC000055166158 570685214 /nfs/dbraw/zinc/68/52/14/570685214.db2.gz WFDWZUDETMIYGL-AWEZNQCLSA-N 1 2 381.388 2.737 50 0 GFAALO C[N@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)C[C@H]1COc2ccccc2O1 ZINC000055166158 570685219 /nfs/dbraw/zinc/68/52/19/570685219.db2.gz WFDWZUDETMIYGL-AWEZNQCLSA-N 1 2 381.388 2.737 50 0 GFAALO COc1cc(C(F)(F)F)ncc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000241338610 570686530 /nfs/dbraw/zinc/68/65/30/570686530.db2.gz MCJONUYYCSPWQZ-LLVKDONJSA-N 1 2 381.358 2.904 50 0 GFAALO COc1cccc(C[N@@H+]2C[C@H]3OC(=O)N(Cc4ccc(OC)c(OC)c4)[C@H]3C2)c1 ZINC000055254142 570689366 /nfs/dbraw/zinc/68/93/66/570689366.db2.gz MGOHISRQNHDNFT-GHTZIAJQSA-N 1 2 398.459 2.918 50 0 GFAALO COc1cccc(C[N@H+]2C[C@H]3OC(=O)N(Cc4ccc(OC)c(OC)c4)[C@H]3C2)c1 ZINC000055254142 570689368 /nfs/dbraw/zinc/68/93/68/570689368.db2.gz MGOHISRQNHDNFT-GHTZIAJQSA-N 1 2 398.459 2.918 50 0 GFAALO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)c1cccc(F)c1 ZINC000017521959 570705656 /nfs/dbraw/zinc/70/56/56/570705656.db2.gz RAPTUBZIRJFRLW-HNNXBMFYSA-N 1 2 380.832 2.676 50 0 GFAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000585149221 570712238 /nfs/dbraw/zinc/71/22/38/570712238.db2.gz NWBJCOIVZJZSNF-MRXNPFEDSA-N 1 2 383.473 2.915 50 0 GFAALO CN(C)C(=O)[C@@H]1CCC[N@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000058401733 570731067 /nfs/dbraw/zinc/73/10/67/570731067.db2.gz JEFOHZPWHIYTLW-GFCCVEGCSA-N 1 2 393.336 2.567 50 0 GFAALO CN(C)C(=O)[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000058401733 570731071 /nfs/dbraw/zinc/73/10/71/570731071.db2.gz JEFOHZPWHIYTLW-GFCCVEGCSA-N 1 2 393.336 2.567 50 0 GFAALO Cn1cc[nH+]c1[C@@H](NC(=O)CC1(Cn2cnnn2)CCCCC1)c1ccccc1 ZINC000524734340 570770769 /nfs/dbraw/zinc/77/07/69/570770769.db2.gz UPENQZYRZRRVSW-IBGZPJMESA-N 1 2 393.495 2.653 50 0 GFAALO CCOC(=O)c1c(C)[nH]c(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1C ZINC000022201080 570801573 /nfs/dbraw/zinc/80/15/73/570801573.db2.gz ZPYIAGKFIMMYPE-UHFFFAOYSA-N 1 2 399.491 2.645 50 0 GFAALO Cn1c2ccccc2[nH+]c1N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000035313309 570806605 /nfs/dbraw/zinc/80/66/05/570806605.db2.gz AYYWKCXAMWQWTG-UHFFFAOYSA-N 1 2 390.896 2.738 50 0 GFAALO COc1ccc([C@H](NC(=O)CCNC(=O)c2ccsc2)c2[nH+]ccn2C)cc1 ZINC000012519844 570826619 /nfs/dbraw/zinc/82/66/19/570826619.db2.gz ONBYFJRIAMVDCE-SFHVURJKSA-N 1 2 398.488 2.516 50 0 GFAALO Cc1ccc(C(=O)NCC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)s1 ZINC000032842334 570851056 /nfs/dbraw/zinc/85/10/56/570851056.db2.gz NKUFAJBVCHZQOQ-KRWDZBQOSA-N 1 2 386.452 2.565 50 0 GFAALO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)o2)c1 ZINC000170595045 570852758 /nfs/dbraw/zinc/85/27/58/570852758.db2.gz FJTNXWLLSIWFJC-QRWLVFNGSA-N 1 2 397.475 2.636 50 0 GFAALO COC(=O)[C@H](C)C[N@H+](C)Cn1nc(-c2ccc(OC)c(OC)c2)oc1=S ZINC000032926920 570938629 /nfs/dbraw/zinc/93/86/29/570938629.db2.gz 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387.842 2.933 50 0 GFAALO O=C(NCc1ccc[nH+]c1N1CCCC1)c1ccc(OC[C@H]2CCCO2)nc1 ZINC000253473253 209219627 /nfs/dbraw/zinc/21/96/27/209219627.db2.gz TVWDOZBDODSRMD-GOSISDBHSA-N 1 2 382.464 2.565 50 0 GFAALO COc1ccccc1COC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000229698209 209187800 /nfs/dbraw/zinc/18/78/00/209187800.db2.gz DAEYUBBZOKTJJV-PZJWPPBQSA-N 1 2 375.440 2.785 50 0 GFAALO COc1ccccc1COC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000229698209 209187805 /nfs/dbraw/zinc/18/78/05/209187805.db2.gz DAEYUBBZOKTJJV-PZJWPPBQSA-N 1 2 375.440 2.785 50 0 GFAALO Cc1n[nH]c(Cc2ccc(NC(=O)N3CCC[C@@H](Cn4cc[nH+]c4)C3)cc2)n1 ZINC000299787087 212036337 /nfs/dbraw/zinc/03/63/37/212036337.db2.gz VFNYMCVDNYWWJS-KRWDZBQOSA-N 1 2 379.468 2.845 50 0 GFAALO Cc1nc(Cc2ccc(NC(=O)N3CCC[C@@H](Cn4cc[nH+]c4)C3)cc2)n[nH]1 ZINC000299787087 212036341 /nfs/dbraw/zinc/03/63/41/212036341.db2.gz VFNYMCVDNYWWJS-KRWDZBQOSA-N 1 2 379.468 2.845 50 0 GFAALO Cc1nnc(Cc2ccc(NC(=O)N3CCC[C@@H](Cn4cc[nH+]c4)C3)cc2)[nH]1 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GFAALO CCCc1nnc(N2CCC3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)CC2)s1 ZINC000091440689 211191702 /nfs/dbraw/zinc/19/17/02/211191702.db2.gz GFWCTAKTYAYMRN-UHFFFAOYSA-N 1 2 388.541 2.665 50 0 GFAALO CCCc1nnc(N2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)s1 ZINC000091440689 211191708 /nfs/dbraw/zinc/19/17/08/211191708.db2.gz GFWCTAKTYAYMRN-UHFFFAOYSA-N 1 2 388.541 2.665 50 0 GFAALO CN1c2ccccc2[C@@](CC(=O)NCCc2[nH]cc[nH+]2)(Cc2ccccc2)C1=O ZINC000071614510 211050813 /nfs/dbraw/zinc/05/08/13/211050813.db2.gz MGEVIHBQJBEQKB-QHCPKHFHSA-N 1 2 388.471 2.616 50 0 GFAALO Cc1[nH+]c2ccccc2n1Cc1cc(C(=O)NCc2cnn(C(C)C)c2)[nH]n1 ZINC000067935092 211029815 /nfs/dbraw/zinc/02/98/15/211029815.db2.gz SMRLDUKAEAYJHV-UHFFFAOYSA-N 1 2 377.452 2.824 50 0 GFAALO CCCOCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2NC(=O)CC)CC1 ZINC000055370432 210888391 /nfs/dbraw/zinc/88/83/91/210888391.db2.gz MAHOZDVAWBLSTD-UHFFFAOYSA-N 1 2 381.904 2.873 50 0 GFAALO CN(c1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1)S(C)(=O)=O ZINC000038856625 210760026 /nfs/dbraw/zinc/76/00/26/210760026.db2.gz AXUJRNALQKTAKI-UHFFFAOYSA-N 1 2 384.461 2.580 50 0 GFAALO COc1ccc(-c2noc(C[NH2+][C@H](C)c3ccc(S(C)(=O)=O)cc3)n2)cc1 ZINC000032797393 210589687 /nfs/dbraw/zinc/58/96/87/210589687.db2.gz XCYJQTORPXJUDB-CYBMUJFWSA-N 1 2 387.461 3.000 50 0 GFAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2cc3ccccc3oc2=O)cc1 ZINC000024060222 210458256 /nfs/dbraw/zinc/45/82/56/210458256.db2.gz KTIRTJOQZBGJTM-HXUWFJFHSA-N 1 2 392.455 2.905 50 0 GFAALO O=C(C[NH+]1CCC2(CC1)NC(=O)c1ccccc1N2)Nc1ccc(Cl)cc1 ZINC000021147391 210377840 /nfs/dbraw/zinc/37/78/40/210377840.db2.gz SFSLCEZTPMLWOL-UHFFFAOYSA-N 1 2 384.867 2.926 50 0 GFAALO O=C(NCC[NH+]1CCOCC1)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000021236316 210380663 /nfs/dbraw/zinc/38/06/63/210380663.db2.gz XGYNKCMWIHLABN-UHFFFAOYSA-N 1 2 390.487 2.660 50 0 GFAALO COc1ccc2oc(=O)cc(C[NH+]3CCN(C(=O)c4cccc(F)c4)CC3)c2c1 ZINC000021173323 210380697 /nfs/dbraw/zinc/38/06/97/210380697.db2.gz VTIGVAXNEZAWJB-UHFFFAOYSA-N 1 2 396.418 2.899 50 0 GFAALO 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O=C(C[C@H]1Sc2ccccc2NC1=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000022019085 570301932 /nfs/dbraw/zinc/30/19/32/570301932.db2.gz LEDZOWPEQZNSOO-QGZVFWFLSA-N 1 2 387.530 2.895 50 0 GFAALO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ncnc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC000022195928 570307153 /nfs/dbraw/zinc/30/71/53/570307153.db2.gz PVTDDPDEVNSPMZ-UONOGXRCSA-N 1 2 399.564 2.605 50 0 GFAALO CCn1c(C)cc(C(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1C ZINC000022774526 570327017 /nfs/dbraw/zinc/32/70/17/570327017.db2.gz CILLSQYORXVBDT-UHFFFAOYSA-N 1 2 383.492 2.854 50 0 GFAALO c1ccc(-n2nnnc2CN2CC[NH+](Cc3nc4ccccc4s3)CC2)cc1 ZINC000022802915 570329278 /nfs/dbraw/zinc/32/92/78/570329278.db2.gz QGJSWVNLBGHHTF-UHFFFAOYSA-N 1 2 391.504 2.590 50 0 GFAALO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000004195836 570362598 /nfs/dbraw/zinc/36/25/98/570362598.db2.gz CYRGINWVXSPJKH-UHFFFAOYSA-N 1 2 387.867 2.745 50 0 GFAALO O=C(c1cc(-c2ccccc2)n[nH]1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023865053 570373916 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50 0 GFAALO Cc1cc(C)n(-c2cc(NCCNC(=O)Nc3cccc(F)c3C)[nH+]cn2)n1 ZINC000035597354 570399981 /nfs/dbraw/zinc/39/99/81/570399981.db2.gz BZUYFRFMOOZMKZ-UHFFFAOYSA-N 1 2 383.431 2.960 50 0 GFAALO CCOc1ccc(C[NH+]2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1 ZINC000024992708 570402762 /nfs/dbraw/zinc/40/27/62/570402762.db2.gz SEONRCZSCXDBOP-UHFFFAOYSA-N 1 2 392.496 2.872 50 0 GFAALO C[NH+](C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1 ZINC000027150501 570432156 /nfs/dbraw/zinc/43/21/56/570432156.db2.gz QATWMYUMBVWOSR-MRXNPFEDSA-N 1 2 382.432 2.716 50 0 GFAALO O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054225147 570456726 /nfs/dbraw/zinc/45/67/26/570456726.db2.gz YXOYXUASOGPVMF-UHFFFAOYSA-N 1 2 378.363 2.636 50 0 GFAALO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000177293737 570521187 /nfs/dbraw/zinc/52/11/87/570521187.db2.gz GCIROHRKILVROS-HNNXBMFYSA-N 1 2 391.431 2.942 50 0 GFAALO O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000066344474 570541455 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Cc1ccc2[nH+]c(CNC(=O)[C@H]3CCC(=O)N(Cc4ccccc4F)C3)cn2c1 ZINC000012301356 570636596 /nfs/dbraw/zinc/63/65/96/570636596.db2.gz AJVZXAHPESHOGN-KRWDZBQOSA-N 1 2 394.450 2.837 50 0 GFAALO COc1cccc([C@H](NC(=O)C(=O)Nc2ccc(C)cc2F)c2[nH+]ccn2C)c1 ZINC000041195443 570661782 /nfs/dbraw/zinc/66/17/82/570661782.db2.gz RBXOUGYZDOSUOA-SFHVURJKSA-N 1 2 396.422 2.721 50 0 GFAALO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)c1cccc(F)c1 ZINC000012630115 570692695 /nfs/dbraw/zinc/69/26/95/570692695.db2.gz NFKQBQHKRRDYPV-KRWDZBQOSA-N 1 2 377.416 2.907 50 0 GFAALO CCOC(=O)C1CC[NH+](Cc2nc(-c3ccc(N4CCCC4)nc3)no2)CC1 ZINC000065215850 570734392 /nfs/dbraw/zinc/73/43/92/570734392.db2.gz BTZKJRSAHZNLIY-UHFFFAOYSA-N 1 2 385.468 2.507 50 0 GFAALO COc1ccc(NC(=O)c2cn(-c3cc(N4CCCC4)[nH+]cn3)cn2)cc1OC ZINC000065239830 570744471 /nfs/dbraw/zinc/74/44/71/570744471.db2.gz WWRAPOKOVFVQDL-UHFFFAOYSA-N 1 2 394.435 2.532 50 0 GFAALO Cn1cc[nH+]c1[C@@H](NC(=O)NCc1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000032802321 570821164 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GFAALO O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)NCCc1c[nH+]c[nH]1 ZINC000012663602 570947954 /nfs/dbraw/zinc/94/79/54/570947954.db2.gz QKGKWFFVYJVXRC-UHFFFAOYSA-N 1 2 389.411 2.921 50 0 GFAALO O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)NCCc1c[nH]c[nH+]1 ZINC000012663602 570947959 /nfs/dbraw/zinc/94/79/59/570947959.db2.gz QKGKWFFVYJVXRC-UHFFFAOYSA-N 1 2 389.411 2.921 50 0 GFAALO C[C@@H](NC(=O)CCCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000004739932 570953933 /nfs/dbraw/zinc/95/39/33/570953933.db2.gz SFBJSSWPVOQEGH-GOSISDBHSA-N 1 2 380.492 2.778 50 0 GFAALO CCCCO[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)C1(C)C ZINC000170652257 570998646 /nfs/dbraw/zinc/99/86/46/570998646.db2.gz XDQKDQDJIDTESQ-MSOLQXFVSA-N 1 2 386.496 2.920 50 0 GFAALO O=C(NC[C@H]1CCCN(c2cccc[nH+]2)C1)Nc1ccc(-n2cncn2)cc1 ZINC000095516313 571083928 /nfs/dbraw/zinc/08/39/28/571083928.db2.gz LSQGZPGWVOHFIG-MRXNPFEDSA-N 1 2 377.452 2.700 50 0 GFAALO O=C1C[C@@H]([NH+]2CCN(c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000018173721 210215342 /nfs/dbraw/zinc/21/53/42/210215342.db2.gz RHOMTYKCHCJYAE-GOSISDBHSA-N 1 2 387.842 2.933 50 0 GFAALO COc1cccc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1OC ZINC000016103103 210185521 /nfs/dbraw/zinc/18/55/21/210185521.db2.gz GHQJERIFWQSGNK-UHFFFAOYSA-N 1 2 384.480 2.888 50 0 GFAALO CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)NCCC2=CCCCC2)cc1 ZINC000013596303 210071506 /nfs/dbraw/zinc/07/15/06/210071506.db2.gz XLHQNGKDVNIBND-OAQYLSRUSA-N 1 2 399.535 2.783 50 0 GFAALO CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)NCCC2=CCCCC2)cc1 ZINC000013596303 210071510 /nfs/dbraw/zinc/07/15/10/210071510.db2.gz XLHQNGKDVNIBND-OAQYLSRUSA-N 1 2 399.535 2.783 50 0 GFAALO Cc1cc(N2CCN(CC(=O)N(C)Cc3ccccc3F)CC2)nc(C(C)C)[nH+]1 ZINC000013010831 210046170 /nfs/dbraw/zinc/04/61/70/210046170.db2.gz NNPHZOWETMZIIQ-UHFFFAOYSA-N 1 2 399.514 2.828 50 0 GFAALO Cc1c(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000012853862 210018604 /nfs/dbraw/zinc/01/86/04/210018604.db2.gz WYGHSSILEPLLTI-MRXNPFEDSA-N 1 2 375.513 2.565 50 0 GFAALO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1)N1CCCC1 ZINC000012752714 210002069 /nfs/dbraw/zinc/00/20/69/210002069.db2.gz YMWBQMJVMGZJNB-OAQYLSRUSA-N 1 2 377.488 2.667 50 0 GFAALO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1)N1CCCC1 ZINC000012752714 210002072 /nfs/dbraw/zinc/00/20/72/210002072.db2.gz YMWBQMJVMGZJNB-OAQYLSRUSA-N 1 2 377.488 2.667 50 0 GFAALO CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000000707080 209260070 /nfs/dbraw/zinc/26/00/70/209260070.db2.gz RQSJHTFJGQDFOB-UHFFFAOYSA-N 1 2 382.482 2.690 50 0 GFAALO c1cc(-c2noc(-c3cncnc3N3CCN(c4cccc[nH+]4)CC3)n2)cs1 ZINC000263615564 209226085 /nfs/dbraw/zinc/22/60/85/209226085.db2.gz DBERNSMDKFUESY-UHFFFAOYSA-N 1 2 391.460 2.977 50 0 GFAALO O=C(Nc1cccc(-c2c[nH]c[nH+]2)c1)N1C[C@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2 ZINC000097394444 211363710 /nfs/dbraw/zinc/36/37/10/211363710.db2.gz LJSHQFUYIUXBAN-ALKREAHSSA-N 1 2 379.464 2.941 50 0 GFAALO CCOC(=O)C1C(C[N@@H+]2CCCC[C@@H]2C)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000096286297 211331272 /nfs/dbraw/zinc/33/12/72/211331272.db2.gz PBXASVXPHDTJJA-SCLBCKFNSA-N 1 2 375.444 2.871 50 0 GFAALO CCOC(=O)C1C(C[N@H+]2CCCC[C@@H]2C)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000096286297 211331275 /nfs/dbraw/zinc/33/12/75/211331275.db2.gz PBXASVXPHDTJJA-SCLBCKFNSA-N 1 2 375.444 2.871 50 0 GFAALO Cc1ccc(N2C(=O)N(CN3CC[NH+](Cc4ccsc4)CC3)C(=O)[C@H]2C)cc1 ZINC000096191553 211317882 /nfs/dbraw/zinc/31/78/82/211317882.db2.gz AVEFLYDSLVTUEN-QGZVFWFLSA-N 1 2 398.532 2.989 50 0 GFAALO CCn1cnnc1C[NH+]1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1 ZINC000095524165 211270821 /nfs/dbraw/zinc/27/08/21/211270821.db2.gz UHNOIXDJNUWQKB-UHFFFAOYSA-N 1 2 381.524 2.745 50 0 GFAALO Cn1cc(Cl)c(C(=O)N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)n1 ZINC000095523182 211269960 /nfs/dbraw/zinc/26/99/60/211269960.db2.gz HEELBIGXZIYZGK-UHFFFAOYSA-N 1 2 384.871 2.733 50 0 GFAALO COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2csc(C(C)=O)c2)C1 ZINC000095499670 211253635 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ZINC000084640630 211172901 /nfs/dbraw/zinc/17/29/01/211172901.db2.gz QCWDSCNIIWFHCC-DNVCBOLYSA-N 1 2 398.569 2.878 50 0 GFAALO Cn1cccc1C(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082097067 211159680 /nfs/dbraw/zinc/15/96/80/211159680.db2.gz WLSWTZBTJLJBFL-SFHVURJKSA-N 1 2 376.460 2.859 50 0 GFAALO COCCn1ccc2ccc(C(=O)N3CC[NH+](CCc4ccccn4)CC3)cc21 ZINC000079464424 211156304 /nfs/dbraw/zinc/15/63/04/211156304.db2.gz YBRIAYVXASOHLU-UHFFFAOYSA-N 1 2 392.503 2.683 50 0 GFAALO O=C(CCCn1cc[nH+]c1)N[C@@H]1CC(=O)N(Cc2cccc3ccccc32)C1 ZINC000072157974 211078007 /nfs/dbraw/zinc/07/80/07/211078007.db2.gz IDGAXXSMJMIMKW-LJQANCHMSA-N 1 2 376.460 2.734 50 0 GFAALO COc1cccc(C(=O)N2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)c1 ZINC000072143842 211074900 /nfs/dbraw/zinc/07/49/00/211074900.db2.gz VLIZJWZOIBAMPD-UHFFFAOYSA-N 1 2 376.460 2.839 50 0 GFAALO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@H+](CC(=O)Nc3cnn(C)c3)C2)c1 ZINC000071755076 211058635 /nfs/dbraw/zinc/05/86/35/211058635.db2.gz ZLMSWJQLVICJIZ-KRWDZBQOSA-N 1 2 384.480 2.741 50 0 GFAALO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@@H+](CC(=O)Nc3cnn(C)c3)C2)c1 ZINC000071755076 211058640 /nfs/dbraw/zinc/05/86/40/211058640.db2.gz ZLMSWJQLVICJIZ-KRWDZBQOSA-N 1 2 384.480 2.741 50 0 GFAALO O=C(CSCc1ccccc1)N1CCCSC[C@@H]1C[NH+]1CCOCC1 ZINC000090609094 211037288 /nfs/dbraw/zinc/03/72/88/211037288.db2.gz ZWXQVINHBGLJTK-SFHVURJKSA-N 1 2 380.579 2.586 50 0 GFAALO O=C(c1cc(COc2ccccc2F)n[nH]1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000067855436 211025359 /nfs/dbraw/zinc/02/53/59/211025359.db2.gz LXZZBAVCAFTCDL-LJQANCHMSA-N 1 2 380.423 2.915 50 0 GFAALO CC(=O)N[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)C(C)C ZINC000032971019 210609924 /nfs/dbraw/zinc/60/99/24/210609924.db2.gz NDAXYAZKJVQQPU-GOSISDBHSA-N 1 2 386.521 2.801 50 0 GFAALO CC(=O)N[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)C(C)C ZINC000032971019 210609928 /nfs/dbraw/zinc/60/99/28/210609928.db2.gz NDAXYAZKJVQQPU-GOSISDBHSA-N 1 2 386.521 2.801 50 0 GFAALO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2cc3ccccc3oc2=O)cc1 ZINC000024060225 210457277 /nfs/dbraw/zinc/45/72/77/210457277.db2.gz KTIRTJOQZBGJTM-FQEVSTJZSA-N 1 2 392.455 2.905 50 0 GFAALO O=C1CC2(CCCC2)C(=O)N1CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000021902172 210399327 /nfs/dbraw/zinc/39/93/27/210399327.db2.gz VGPNNAYMABLRSX-UHFFFAOYSA-N 1 2 375.900 2.734 50 0 GFAALO Cc1ccc2c(=O)cc(C(=O)N3CC[NH+](CCc4ccccn4)CC3)oc2c1C ZINC000021659715 210387359 /nfs/dbraw/zinc/38/73/59/210387359.db2.gz XIQSIXXIVRBNQQ-UHFFFAOYSA-N 1 2 391.471 2.805 50 0 GFAALO O=c1c(CN2CC[N@H+](Cc3ccsc3)[C@H](CCO)C2)coc2ccccc12 ZINC000020537975 210345577 /nfs/dbraw/zinc/34/55/77/210345577.db2.gz CLEZOBVMMJEJDM-GOSISDBHSA-N 1 2 384.501 2.923 50 0 GFAALO O=c1c(CN2CC[N@@H+](Cc3ccsc3)[C@H](CCO)C2)coc2ccccc12 ZINC000020537975 210345583 /nfs/dbraw/zinc/34/55/83/210345583.db2.gz CLEZOBVMMJEJDM-GOSISDBHSA-N 1 2 384.501 2.923 50 0 GFAALO O=c1c(C[N@@H+]2CCN(Cc3ccsc3)[C@H](CCO)C2)coc2ccccc12 ZINC000020537975 210345586 /nfs/dbraw/zinc/34/55/86/210345586.db2.gz CLEZOBVMMJEJDM-GOSISDBHSA-N 1 2 384.501 2.923 50 0 GFAALO O=c1c(C[N@H+]2CCN(Cc3ccsc3)[C@H](CCO)C2)coc2ccccc12 ZINC000020537975 210345591 /nfs/dbraw/zinc/34/55/91/210345591.db2.gz CLEZOBVMMJEJDM-GOSISDBHSA-N 1 2 384.501 2.923 50 0 GFAALO Cc1nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc2c1C(=O)C[C@H](C)C2 ZINC000020555705 210346318 /nfs/dbraw/zinc/34/63/18/210346318.db2.gz JYMYHICTMJPPED-CQSZACIVSA-N 1 2 394.475 2.601 50 0 GFAALO COC(=O)c1ccccc1NC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020220931 210325084 /nfs/dbraw/zinc/32/50/84/210325084.db2.gz WLRBSLXKJNOUCU-UHFFFAOYSA-N 1 2 397.431 2.552 50 0 GFAALO COCC[NH+]1CCN(C(=O)c2csc3nc(-c4ccccc4C)cn23)CC1 ZINC000019840032 210303218 /nfs/dbraw/zinc/30/32/18/210303218.db2.gz UBKOXXRGZVHKCD-UHFFFAOYSA-N 1 2 384.505 2.775 50 0 GFAALO O=c1cc(Cc2cccc(F)c2)nc(-c2cccc(C[NH+]3CCOCC3)c2)[nH]1 ZINC000019741818 210290124 /nfs/dbraw/zinc/29/01/24/210290124.db2.gz FYAVGEPCWGRJAW-UHFFFAOYSA-N 1 2 379.435 2.999 50 0 GFAALO O=C(Nc1ccc(F)cc1C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCCC1 ZINC000049551214 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CCOC(=O)c1c(NC(=O)CC[NH+]2CCOCC2)sc2c1CCCCC2 ZINC000033381901 570285164 /nfs/dbraw/zinc/28/51/64/570285164.db2.gz HMNHNURYUJENOT-UHFFFAOYSA-N 1 2 380.510 2.855 50 0 GFAALO Cc1ccc(C[N@H+](C)CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000012916967 570292789 /nfs/dbraw/zinc/29/27/89/570292789.db2.gz MOOQVQZGANKROZ-HXUWFJFHSA-N 1 2 392.565 2.694 50 0 GFAALO Cc1ccc(C[N@@H+](C)CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000012916967 570292792 /nfs/dbraw/zinc/29/27/92/570292792.db2.gz MOOQVQZGANKROZ-HXUWFJFHSA-N 1 2 392.565 2.694 50 0 GFAALO CCSc1nc2c(n1C)CC[N@H+](C[C@H](O)c1ccc(OC)c(OC)c1)C2 ZINC000000711265 570301245 /nfs/dbraw/zinc/30/12/45/570301245.db2.gz ZUMBEIQBFPEKJU-INIZCTEOSA-N 1 2 377.510 2.641 50 0 GFAALO CCSc1nc2c(n1C)CC[N@@H+](C[C@H](O)c1ccc(OC)c(OC)c1)C2 ZINC000000711265 570301247 /nfs/dbraw/zinc/30/12/47/570301247.db2.gz ZUMBEIQBFPEKJU-INIZCTEOSA-N 1 2 377.510 2.641 50 0 GFAALO CCOc1ccc(C[NH+]2CCN([C@@H](C)C(=O)Nc3c(C)nn(C)c3C)CC2)cc1 ZINC000022801596 570328597 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Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@H]3CC[C@H](O)CC3)csc2C1 ZINC000426701501 534364194 /nfs/dbraw/zinc/36/41/94/534364194.db2.gz WUSISPFRCVNMIL-SHTZXODSSA-N 1 2 389.521 2.945 50 0 GFAALO COc1ccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)C(C)C)CC2)cc1 ZINC000096316858 536534458 /nfs/dbraw/zinc/53/44/58/536534458.db2.gz UDTZTNOSYWTZOZ-UHFFFAOYSA-N 1 2 382.508 2.997 50 0 GFAALO CC(C)Cc1nc(CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)no1 ZINC000426434186 528667070 /nfs/dbraw/zinc/66/70/70/528667070.db2.gz ZPIBSUDKSGMSCY-RMKNXTFCSA-N 1 2 383.496 2.809 50 0 GFAALO O=C(C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(Br)cc1 ZINC000004118651 551094607 /nfs/dbraw/zinc/09/46/07/551094607.db2.gz SWPSEYZCRBCPDQ-UHFFFAOYSA-N 1 2 375.270 2.605 50 0 GFAALO O=C(CSCc1ccccc1)N1CC[NH+](C[C@@H](O)c2cccs2)CC1 ZINC000049031330 570261168 /nfs/dbraw/zinc/26/11/68/570261168.db2.gz CEFITWZNFMHPBP-QGZVFWFLSA-N 1 2 376.547 2.859 50 0 GFAALO Cc1ccc(C[N@@H+]2CCN(Cc3nc4c(s3)CCCC4)C[C@H]2CCO)o1 ZINC000106967360 570261238 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Cn1ccc2ccc(C[N@H+]3CCN(Cc4ccc5c(c4)OCO5)C(=O)C3)cc21 ZINC000215125136 570285547 /nfs/dbraw/zinc/28/55/47/570285547.db2.gz TVZYTWXPKAGGKF-UHFFFAOYSA-N 1 2 377.444 2.751 50 0 GFAALO COc1cccc(-n2cc(CN(C)C(=O)C[NH+]3Cc4ccccc4C3)cn2)c1 ZINC000215175177 570286112 /nfs/dbraw/zinc/28/61/12/570286112.db2.gz UWQFDNZGDOINCF-UHFFFAOYSA-N 1 2 376.460 2.855 50 0 GFAALO CC(C)CN1CC2(CC1=O)CCN(C(=O)CC1=CSC3=[NH+]CCCN13)CC2 ZINC000102758612 570291659 /nfs/dbraw/zinc/29/16/59/570291659.db2.gz JLQCODIZKMQOMD-UHFFFAOYSA-N 1 2 390.553 2.524 50 0 GFAALO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000108404529 570312753 /nfs/dbraw/zinc/31/27/53/570312753.db2.gz AUAVVJMBHUFSQM-KRWDZBQOSA-N 1 2 378.480 2.597 50 0 GFAALO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000108404529 570312755 /nfs/dbraw/zinc/31/27/55/570312755.db2.gz AUAVVJMBHUFSQM-KRWDZBQOSA-N 1 2 378.480 2.597 50 0 GFAALO Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000022786448 570327451 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50 0 GFAALO COc1cc(OC)cc([C@@H](NC(=O)c2[nH]nc3ccccc32)c2[nH+]ccn2C)c1 ZINC000024983680 570401384 /nfs/dbraw/zinc/40/13/84/570401384.db2.gz GWJIWISKIFOWLY-GOSISDBHSA-N 1 2 391.431 2.833 50 0 GFAALO CCOc1ccc(CC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCOCC2)cc1 ZINC000025606272 570416717 /nfs/dbraw/zinc/41/67/17/570416717.db2.gz UQRDSYVRLLJRJK-JOCHJYFZSA-N 1 2 398.503 2.826 50 0 GFAALO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1ccc(OC2CCOCC2)nc1 ZINC000245053423 570419291 /nfs/dbraw/zinc/41/92/91/570419291.db2.gz OTROTJDNKCWSLB-UHFFFAOYSA-N 1 2 382.464 2.565 50 0 GFAALO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1[nH+]ccn1Cc1ccccc1 ZINC000026910205 570430056 /nfs/dbraw/zinc/43/00/56/570430056.db2.gz ZOEAIFZYZIDNMN-OAHLLOKOSA-N 1 2 382.489 2.530 50 0 GFAALO C[N@H+](Cc1ccc(C(=O)N2CCCC2)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000028707769 570463140 /nfs/dbraw/zinc/46/31/40/570463140.db2.gz KBRYBGWOHPSVTF-UHFFFAOYSA-N 1 2 376.460 2.791 50 0 GFAALO C[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000028707769 570463143 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O=C(CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)Nc1ccc(F)c(F)c1 ZINC000022805154 570550025 /nfs/dbraw/zinc/55/00/25/570550025.db2.gz RWVIZNQGIZRIFS-UHFFFAOYSA-N 1 2 387.430 2.656 50 0 GFAALO O=C(c1cccnc1)[C@H]1CCC[N@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C1 ZINC000011712006 570580642 /nfs/dbraw/zinc/58/06/42/570580642.db2.gz FDNYZRCUYUXALB-INIZCTEOSA-N 1 2 392.415 2.955 50 0 GFAALO O=C(c1cccnc1)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C1 ZINC000011712006 570580643 /nfs/dbraw/zinc/58/06/43/570580643.db2.gz FDNYZRCUYUXALB-INIZCTEOSA-N 1 2 392.415 2.955 50 0 GFAALO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000225535995 570585591 /nfs/dbraw/zinc/58/55/91/570585591.db2.gz WASMVOYZGJTSAS-HXUWFJFHSA-N 1 2 375.469 2.781 50 0 GFAALO CCC[C@]1(C(=O)OCC)CCC[N@H+]1CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000225535995 570585592 /nfs/dbraw/zinc/58/55/92/570585592.db2.gz WASMVOYZGJTSAS-HXUWFJFHSA-N 1 2 375.469 2.781 50 0 GFAALO CCN(C)C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000036250985 570587553 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COc1cc(Cl)ccc1OCc1cc(C(=O)NCCc2[nH]cc(C)[nH+]2)no1 ZINC000012301358 570636449 /nfs/dbraw/zinc/63/64/49/570636449.db2.gz LJUVTCSYFSWAMW-UHFFFAOYSA-N 1 2 390.827 2.920 50 0 GFAALO Cc1ccc(C(N)=O)c(N2CCC(n3cc(-c4cc(F)cc(F)c4)nn3)CC2)[nH+]1 ZINC000055153223 570685306 /nfs/dbraw/zinc/68/53/06/570685306.db2.gz JSWVARZAMPTSBK-UHFFFAOYSA-N 1 2 398.417 2.867 50 0 GFAALO COc1cccc(CN(C)[C@H](C)c2ccon2)c1OCC[NH+]1CCOCC1 ZINC000055393498 570694434 /nfs/dbraw/zinc/69/44/34/570694434.db2.gz XABHSLDLTOAEMU-MRXNPFEDSA-N 1 2 375.469 2.587 50 0 GFAALO C=C1c2ccccc2C(=O)N1CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000058209643 570719874 /nfs/dbraw/zinc/71/98/74/570719874.db2.gz XSJODLZKBXWQSX-UHFFFAOYSA-N 1 2 376.391 2.754 50 0 GFAALO CCc1ccccc1NC(=O)CN(C)C(=O)C[N@H+](C)Cc1ccccc1OC ZINC000007004143 570735674 /nfs/dbraw/zinc/73/56/74/570735674.db2.gz GNUNETWJEWXNKI-UHFFFAOYSA-N 1 2 383.492 2.787 50 0 GFAALO CCc1ccccc1NC(=O)CN(C)C(=O)C[N@@H+](C)Cc1ccccc1OC ZINC000007004143 570735676 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ZINC000058173619 136154905 /nfs/dbraw/zinc/15/49/05/136154905.db2.gz DKKRFQJDSKVCAW-HNNXBMFYSA-N 1 2 385.489 2.714 50 0 GFAALO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CC(=O)Nc2ccccc21 ZINC000058173619 136154906 /nfs/dbraw/zinc/15/49/06/136154906.db2.gz DKKRFQJDSKVCAW-HNNXBMFYSA-N 1 2 385.489 2.714 50 0 GFAALO O=C(CC[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1)NCCc1ccncc1 ZINC000065245218 136161405 /nfs/dbraw/zinc/16/14/05/136161405.db2.gz ZEQZSJCGMHAKIB-SFHVURJKSA-N 1 2 394.523 2.801 50 0 GFAALO O=C(CC[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1)NCCc1ccncc1 ZINC000065245218 136161406 /nfs/dbraw/zinc/16/14/06/136161406.db2.gz ZEQZSJCGMHAKIB-SFHVURJKSA-N 1 2 394.523 2.801 50 0 GFAALO O=C(CCc1cc[nH+]c(N2CCOCC2)c1)NCc1ccc(F)c(Cl)c1 ZINC000065269891 136162237 /nfs/dbraw/zinc/16/22/37/136162237.db2.gz UBLOHAKOYPGBPF-UHFFFAOYSA-N 1 2 377.847 2.960 50 0 GFAALO CC(=O)NC[C@@H]1CCC2(CCN(c3nccc(-c4ccc(C)[nH+]c4C)n3)CC2)O1 ZINC000071759236 136166159 /nfs/dbraw/zinc/16/61/59/136166159.db2.gz DVEKPWWBHOXLKU-SFHVURJKSA-N 1 2 395.507 2.810 50 0 GFAALO COc1cccc(N2C[C@H](Cc3ccccc3)N(Cc3c[nH+]c[nH]3)CC2=O)c1 ZINC000082114576 136173710 /nfs/dbraw/zinc/17/37/10/136173710.db2.gz OWTSQSROCQFPDY-FQEVSTJZSA-N 1 2 376.460 2.878 50 0 GFAALO COc1cccc(N2C[C@H](Cc3ccccc3)N(Cc3c[nH]c[nH+]3)CC2=O)c1 ZINC000082114576 136173711 /nfs/dbraw/zinc/17/37/11/136173711.db2.gz OWTSQSROCQFPDY-FQEVSTJZSA-N 1 2 376.460 2.878 50 0 GFAALO Cc1cc(C)nc(N2CCC3(CCC(=O)N(CCCn4cc[nH+]c4)C3)CC2)n1 ZINC000091860360 136177191 /nfs/dbraw/zinc/17/71/91/136177191.db2.gz XFAQTXMBZWBLLC-UHFFFAOYSA-N 1 2 382.512 2.589 50 0 GFAALO O=C(NC[C@@H]1CCCN(c2ncccn2)C1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000095505320 136180087 /nfs/dbraw/zinc/18/00/87/136180087.db2.gz RREVEDUBWHSGDY-INIZCTEOSA-N 1 2 377.452 2.700 50 0 GFAALO O=C1C[C@@H]([NH+]2CCN(c3ccc(Cl)cc3)CC2)C(=O)N1CCc1ccccc1 ZINC000100468960 136189100 /nfs/dbraw/zinc/18/91/00/136189100.db2.gz AIXQBKIXOBZQGQ-HXUWFJFHSA-N 1 2 397.906 2.832 50 0 GFAALO O=C(c1c[nH]nc1-c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022287014 221556810 /nfs/dbraw/zinc/55/68/10/221556810.db2.gz OSHOMTOVCOIGQM-UHFFFAOYSA-N 1 2 390.443 2.763 50 0 GFAALO CCN(CC)S(=O)(=O)N1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000058312035 222049350 /nfs/dbraw/zinc/04/93/50/222049350.db2.gz QZDKZXQMEXYWAX-UHFFFAOYSA-N 1 2 391.990 2.636 50 0 GFAALO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)o2)CC1 ZINC000065246487 222114667 /nfs/dbraw/zinc/11/46/67/222114667.db2.gz BWJSCBBJXNCMQH-UHFFFAOYSA-N 1 2 394.497 2.702 50 0 GFAALO CCOc1ccccc1NC(=O)c1cn(-c2cc(N3CCCC3)[nH+]cn2)cn1 ZINC000065239832 222114951 /nfs/dbraw/zinc/11/49/51/222114951.db2.gz UPSMPJHZSBIJKF-UHFFFAOYSA-N 1 2 378.436 2.914 50 0 GFAALO CCn1cnc(NC(=O)c2cccc(C[N@@H+]3CCC[C@@H]3c3nonc3C)c2)n1 ZINC000065509260 222134300 /nfs/dbraw/zinc/13/43/00/222134300.db2.gz IKSQLDSEBHAGEB-MRXNPFEDSA-N 1 2 381.440 2.579 50 0 GFAALO CCn1cnc(NC(=O)c2cccc(C[N@H+]3CCC[C@@H]3c3nonc3C)c2)n1 ZINC000065509260 222134304 /nfs/dbraw/zinc/13/43/04/222134304.db2.gz IKSQLDSEBHAGEB-MRXNPFEDSA-N 1 2 381.440 2.579 50 0 GFAALO Cc1ccc(C(=O)N2CCN(c3cc(-n4cccn4)nc(C)[nH+]3)CC2)c(C)c1 ZINC000067613219 222151623 /nfs/dbraw/zinc/15/16/23/222151623.db2.gz GFZXBCFGASHJGO-UHFFFAOYSA-N 1 2 376.464 2.550 50 0 GFAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4cccc(F)c4)CC3)[nH+]c(C)n2)n1 ZINC000067629596 222152234 /nfs/dbraw/zinc/15/22/34/222152234.db2.gz PCUUBEWJNBUOEK-UHFFFAOYSA-N 1 2 394.454 2.689 50 0 GFAALO Cn1cc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000071615097 222186295 /nfs/dbraw/zinc/18/62/95/222186295.db2.gz MYEXDBSMIYDYFL-AWEZNQCLSA-N 1 2 394.397 2.972 50 0 GFAALO Cn1cc(NC(=O)C[N@H+]2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000071615097 222186296 /nfs/dbraw/zinc/18/62/96/222186296.db2.gz MYEXDBSMIYDYFL-AWEZNQCLSA-N 1 2 394.397 2.972 50 0 GFAALO CC(C)CNC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000072138945 222210511 /nfs/dbraw/zinc/21/05/11/222210511.db2.gz YKGUAHXKGTVPSL-OAQYLSRUSA-N 1 2 379.504 2.816 50 0 GFAALO CC(C)CNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000072138945 222210515 /nfs/dbraw/zinc/21/05/15/222210515.db2.gz YKGUAHXKGTVPSL-OAQYLSRUSA-N 1 2 379.504 2.816 50 0 GFAALO COc1ccc2nnc(CCC(=O)Nc3ccc4c(c3)[nH+]c(C(C)C)n4C)n2n1 ZINC000072403515 222253639 /nfs/dbraw/zinc/25/36/39/222253639.db2.gz BRZFPYGUWZOHII-UHFFFAOYSA-N 1 2 393.451 2.714 50 0 GFAALO Cc1ccccc1-c1nc2cc3c(cc2cc1C[N@@H+]1CCNC(=O)C1)OCO3 ZINC000072423169 222257738 /nfs/dbraw/zinc/25/77/38/222257738.db2.gz GMYWYFNYVMRTJJ-UHFFFAOYSA-N 1 2 375.428 2.871 50 0 GFAALO Cc1ccccc1-c1nc2cc3c(cc2cc1C[N@H+]1CCNC(=O)C1)OCO3 ZINC000072423169 222257741 /nfs/dbraw/zinc/25/77/41/222257741.db2.gz GMYWYFNYVMRTJJ-UHFFFAOYSA-N 1 2 375.428 2.871 50 0 GFAALO CCCc1nc2c(cnn2C)c(N(C)CCc2[nH]c3ccc(OC)cc3[nH+]2)n1 ZINC000072430491 222259318 /nfs/dbraw/zinc/25/93/18/222259318.db2.gz COBUURSWOQWXAH-UHFFFAOYSA-N 1 2 379.468 2.880 50 0 GFAALO COCCn1cc[nH+]c1C1CCN(C(=O)C2(c3ccc(OC)cc3)CC2)CC1 ZINC000095499306 222334303 /nfs/dbraw/zinc/33/43/03/222334303.db2.gz JRTCGUFLXVMXMJ-UHFFFAOYSA-N 1 2 383.492 2.976 50 0 GFAALO O=C(CCc1cccs1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000095500419 222334525 /nfs/dbraw/zinc/33/45/25/222334525.db2.gz DADZPWAXIINJQH-UHFFFAOYSA-N 1 2 398.532 2.716 50 0 GFAALO O=C(CNC(=O)c1cc(Cl)ccc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000095517279 222343418 /nfs/dbraw/zinc/34/34/18/222343418.db2.gz CWYKVWJGOBACAP-NSHDSACASA-N 1 2 381.263 2.853 50 0 GFAALO CC(C)c1cc(C(=O)N2CC[N@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)on1 ZINC000077405977 222280948 /nfs/dbraw/zinc/28/09/48/222280948.db2.gz XBQGMCQRUGNWFK-KRWDZBQOSA-N 1 2 375.444 2.646 50 0 GFAALO CC(C)c1cc(C(=O)N2CC[N@@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)on1 ZINC000077405977 222280953 /nfs/dbraw/zinc/28/09/53/222280953.db2.gz XBQGMCQRUGNWFK-KRWDZBQOSA-N 1 2 375.444 2.646 50 0 GFAALO COC(=O)c1coc(C[N@@H+]2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)n1 ZINC000077440177 222283766 /nfs/dbraw/zinc/28/37/66/222283766.db2.gz QPPFTLGRJMKQGF-FQEVSTJZSA-N 1 2 375.469 2.608 50 0 GFAALO COC(=O)c1coc(C[N@H+]2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)n1 ZINC000077440177 222283770 /nfs/dbraw/zinc/28/37/70/222283770.db2.gz QPPFTLGRJMKQGF-FQEVSTJZSA-N 1 2 375.469 2.608 50 0 GFAALO Cc1ccnn1CCC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095518412 222344932 /nfs/dbraw/zinc/34/49/32/222344932.db2.gz QLFCGVILDHZBSU-GOSISDBHSA-N 1 2 378.480 2.628 50 0 GFAALO COCCn1cc[nH+]c1C1CCN(C(=O)[C@@H](C)n2cnc3ccccc32)CC1 ZINC000095528445 222353331 /nfs/dbraw/zinc/35/33/31/222353331.db2.gz HAYILCRECTXXBN-MRXNPFEDSA-N 1 2 381.480 2.846 50 0 GFAALO Cc1cc(C)c(CNC(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)c[nH+]1 ZINC000096139567 222387533 /nfs/dbraw/zinc/38/75/33/222387533.db2.gz LIRIIPAKANIEPT-LJQANCHMSA-N 1 2 382.464 2.929 50 0 GFAALO Cc1cccc(C(=O)N2CCC(c3nnc(C[NH+]4CCCCC4)n3C)CC2)n1 ZINC000096140078 222387541 /nfs/dbraw/zinc/38/75/41/222387541.db2.gz SRTNGADPFBIBAM-UHFFFAOYSA-N 1 2 382.512 2.524 50 0 GFAALO Cc1cc(C)n2ncc(C(=O)N3C[C@H]4CC[C@@H]3C[N@H+](Cc3cscn3)C4)c2n1 ZINC000091780060 534128616 /nfs/dbraw/zinc/12/86/16/534128616.db2.gz MYPVNMYDYBFBGR-DOTOQJQBSA-N 1 2 396.520 2.539 50 0 GFAALO Cc1cc(C)n2ncc(C(=O)N3C[C@H]4CC[C@@H]3C[N@@H+](Cc3cscn3)C4)c2n1 ZINC000091780060 534128621 /nfs/dbraw/zinc/12/86/21/534128621.db2.gz MYPVNMYDYBFBGR-DOTOQJQBSA-N 1 2 396.520 2.539 50 0 GFAALO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000006609704 551099796 /nfs/dbraw/zinc/09/97/96/551099796.db2.gz IPJVSQYAFWGHBE-AWEZNQCLSA-N 1 2 389.297 2.993 50 0 GFAALO COc1cccc(C[NH+]2CCN(C(=O)c3cn(C4CCCCC4)nn3)CC2)c1 ZINC000019739913 570212148 /nfs/dbraw/zinc/21/21/48/570212148.db2.gz OUDPRXCHFCPRQP-UHFFFAOYSA-N 1 2 383.496 2.750 50 0 GFAALO O=C1C(Cl)=C(N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccccc1 ZINC000019792806 570219594 /nfs/dbraw/zinc/21/95/94/570219594.db2.gz KMYBXHGUMMVSKW-UHFFFAOYSA-N 1 2 381.863 2.828 50 0 GFAALO COc1cc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)cc(OC)c1OC ZINC000043170289 570234220 /nfs/dbraw/zinc/23/42/20/570234220.db2.gz DHBZDNMDBJKZDT-UHFFFAOYSA-N 1 2 375.425 2.655 50 0 GFAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)NCCC1=CCCCC1 ZINC000020467069 570261010 /nfs/dbraw/zinc/26/10/10/570261010.db2.gz AFVIWMVQMDYXFX-UHFFFAOYSA-N 1 2 385.508 2.540 50 0 GFAALO COc1ccc(CNC(=O)c2cn(-c3cc(N4CCCCC4)[nH+]cn3)cn2)cc1 ZINC000049411250 570266452 /nfs/dbraw/zinc/26/64/52/570266452.db2.gz QGESVWVISBEPLH-UHFFFAOYSA-N 1 2 392.463 2.591 50 0 GFAALO Cc1nn(C)c(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1Br ZINC000020602248 570270307 /nfs/dbraw/zinc/27/03/07/570270307.db2.gz SBAZCPOCLGKSJQ-UHFFFAOYSA-N 1 2 393.285 2.576 50 0 GFAALO Cn1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2ccccc21 ZINC000020902363 570283796 /nfs/dbraw/zinc/28/37/96/570283796.db2.gz SUSLCZOOEGPIDN-UHFFFAOYSA-N 1 2 377.444 2.865 50 0 GFAALO CCN1C[C@@H](C[N@H+](C)CC(=O)Nc2cc(OC)cc(OC)c2)Oc2ccccc21 ZINC000021672396 570294269 /nfs/dbraw/zinc/29/42/69/570294269.db2.gz WFHKNOBBKDFJGE-LJQANCHMSA-N 1 2 399.491 2.862 50 0 GFAALO CCN1C[C@@H](C[N@@H+](C)CC(=O)Nc2cc(OC)cc(OC)c2)Oc2ccccc21 ZINC000021672396 570294270 /nfs/dbraw/zinc/29/42/70/570294270.db2.gz WFHKNOBBKDFJGE-LJQANCHMSA-N 1 2 399.491 2.862 50 0 GFAALO Nc1nc(CN2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)nc2ccccc12 ZINC000084573106 570294331 /nfs/dbraw/zinc/29/43/31/570294331.db2.gz WHVMUIGIEHTJBR-UHFFFAOYSA-N 1 2 399.502 2.716 50 0 GFAALO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000247854202 570324362 /nfs/dbraw/zinc/32/43/62/570324362.db2.gz SQAJLAVFEKAKKH-YRXWBPOGSA-N 1 2 392.386 2.514 50 0 GFAALO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000247854202 570324365 /nfs/dbraw/zinc/32/43/65/570324365.db2.gz SQAJLAVFEKAKKH-YRXWBPOGSA-N 1 2 392.386 2.514 50 0 GFAALO CCN(C(=O)C[NH+]1CCN(CC(=O)Nc2c(C)cccc2C)CC1)C1=CCCC1 ZINC000022931980 570337181 /nfs/dbraw/zinc/33/71/81/570337181.db2.gz RHVPMPGDIHEQGF-UHFFFAOYSA-N 1 2 398.551 2.776 50 0 GFAALO COc1cc(OC)c(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(OC)c1 ZINC000023718669 570370199 /nfs/dbraw/zinc/37/01/99/570370199.db2.gz 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O=C(C[N@@H+]1CCCn2nc([C@H](O)c3ccccc3)cc2C1)N1CCCCCC1 ZINC000219997809 570380279 /nfs/dbraw/zinc/38/02/79/570380279.db2.gz JZSQWQMLKDTZHP-JOCHJYFZSA-N 1 2 382.508 2.573 50 0 GFAALO OC[C@H](O)c1cc2n(n1)CC[N@H+](Cc1ccccc1OCc1ccccc1)C2 ZINC000221273804 570392771 /nfs/dbraw/zinc/39/27/71/570392771.db2.gz FQZYGRMMVWGQMI-NRFANRHFSA-N 1 2 379.460 2.504 50 0 GFAALO OC[C@H](O)c1cc2n(n1)CC[N@@H+](Cc1ccccc1OCc1ccccc1)C2 ZINC000221273804 570392772 /nfs/dbraw/zinc/39/27/72/570392772.db2.gz FQZYGRMMVWGQMI-NRFANRHFSA-N 1 2 379.460 2.504 50 0 GFAALO O=C(c1cccc(OC(F)F)c1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000025266319 570409561 /nfs/dbraw/zinc/40/95/61/570409561.db2.gz YQAVDDNBIPETTF-GOSISDBHSA-N 1 2 376.403 2.779 50 0 GFAALO COC(=O)[C@H](Cc1c[nH+]cn1COCc1ccccc1)NC(=O)OC(C)(C)C ZINC000004899528 570416410 /nfs/dbraw/zinc/41/64/10/570416410.db2.gz OZTSHWHLUGXROY-KRWDZBQOSA-N 1 2 389.452 2.666 50 0 GFAALO O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000025605990 570416657 /nfs/dbraw/zinc/41/66/57/570416657.db2.gz OOWULIOCQSZWIZ-LJQANCHMSA-N 1 2 397.500 2.960 50 0 GFAALO CN(C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)C1CC[NH+](C)CC1 ZINC000025784705 570419932 /nfs/dbraw/zinc/41/99/32/570419932.db2.gz JKEKDNXWXBPMSH-UHFFFAOYSA-N 1 2 393.534 2.715 50 0 GFAALO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000248029196 570435909 /nfs/dbraw/zinc/43/59/09/570435909.db2.gz SSWIKTDWZHDCGS-XPGWFJOJSA-N 1 2 396.487 2.961 50 0 GFAALO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000248029196 570435911 /nfs/dbraw/zinc/43/59/11/570435911.db2.gz SSWIKTDWZHDCGS-XPGWFJOJSA-N 1 2 396.487 2.961 50 0 GFAALO CC(C)c1cc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)nn1C(C)(C)C ZINC000044406563 570444362 /nfs/dbraw/zinc/44/43/62/570444362.db2.gz OVPMBHRVHQGDGN-UHFFFAOYSA-N 1 2 385.512 2.923 50 0 GFAALO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000028727511 570463701 /nfs/dbraw/zinc/46/37/01/570463701.db2.gz LZIIQACBNJCBMI-GFCCVEGCSA-N 1 2 390.440 2.716 50 0 GFAALO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000028727511 570463702 /nfs/dbraw/zinc/46/37/02/570463702.db2.gz LZIIQACBNJCBMI-GFCCVEGCSA-N 1 2 390.440 2.716 50 0 GFAALO Cc1ccc(Nc2nc(NCC[NH+]3CCOCC3)nc3nccnc32)c(C)c1 ZINC000022735941 570541979 /nfs/dbraw/zinc/54/19/79/570541979.db2.gz QCDMAIRRLCJPLI-UHFFFAOYSA-N 1 2 379.468 2.524 50 0 GFAALO CCC[NH+]1CCN(S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)CC1 ZINC000036171288 570558592 /nfs/dbraw/zinc/55/85/92/570558592.db2.gz MPQNCYKEJHFKAV-UHFFFAOYSA-N 1 2 393.509 2.683 50 0 GFAALO CC(C)CC(=O)N1CC[NH+]([C@H](C(=O)N(C)Cc2ccco2)C2CCCC2)CC1 ZINC000036250829 570587345 /nfs/dbraw/zinc/58/73/45/570587345.db2.gz HVILSBILGBLWJR-NRFANRHFSA-N 1 2 389.540 2.987 50 0 GFAALO COc1cccc(C[N@@H+]2CCN(Cc3cccc(C(C)=O)c3)C[C@H]2CCO)c1 ZINC000039461459 570592003 /nfs/dbraw/zinc/59/20/03/570592003.db2.gz URBCBWWOALFQSB-JOCHJYFZSA-N 1 2 382.504 2.967 50 0 GFAALO COc1cccc(C[N@H+]2CCN(Cc3cccc(C(C)=O)c3)C[C@H]2CCO)c1 ZINC000039461459 570592004 /nfs/dbraw/zinc/59/20/04/570592004.db2.gz URBCBWWOALFQSB-JOCHJYFZSA-N 1 2 382.504 2.967 50 0 GFAALO COc1cccc(CN2CC[N@H+](Cc3cccc(C(C)=O)c3)C[C@H]2CCO)c1 ZINC000039461459 570592007 /nfs/dbraw/zinc/59/20/07/570592007.db2.gz URBCBWWOALFQSB-JOCHJYFZSA-N 1 2 382.504 2.967 50 0 GFAALO COc1cccc(CN2CC[N@@H+](Cc3cccc(C(C)=O)c3)C[C@H]2CCO)c1 ZINC000039461459 570592011 /nfs/dbraw/zinc/59/20/11/570592011.db2.gz URBCBWWOALFQSB-JOCHJYFZSA-N 1 2 382.504 2.967 50 0 GFAALO C[NH+]1CCN(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)CC1 ZINC000033013516 570628473 /nfs/dbraw/zinc/62/84/73/570628473.db2.gz DTQAKOZOCPRNPN-UHFFFAOYSA-N 1 2 393.516 2.800 50 0 GFAALO COc1ccc(OC)c(NC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000047539473 570654360 /nfs/dbraw/zinc/65/43/60/570654360.db2.gz QOVHFALQOKPJPG-UHFFFAOYSA-N 1 2 393.484 2.631 50 0 GFAALO C[C@@H]1CN(C(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)C[C@@H](C)O1 ZINC000004341479 570676739 /nfs/dbraw/zinc/67/67/39/570676739.db2.gz ZGQRVVITNSUPJT-ZIAGYGMSSA-N 1 2 383.477 2.543 50 0 GFAALO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)NNc1ccc(OC(F)(F)F)cc1 ZINC000078535081 570677203 /nfs/dbraw/zinc/67/72/03/570677203.db2.gz KEHNURAGMAEEEZ-UHFFFAOYSA-N 1 2 392.341 2.992 50 0 GFAALO CC(C)=CC[NH+]1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000036404285 570689485 /nfs/dbraw/zinc/68/94/85/570689485.db2.gz AFNIYXMEOBPJGB-UHFFFAOYSA-N 1 2 378.416 2.858 50 0 GFAALO CC(C)(C)N=C1Nc2ccccc2C[NH2+][C@@]12CCN(C(=O)c1ccccn1)C2 ZINC000065265983 570769566 /nfs/dbraw/zinc/76/95/66/570769566.db2.gz BTKSHZZZRWKGTG-JOCHJYFZSA-N 1 2 377.492 2.888 50 0 GFAALO CN(Cc1[nH+]ccn1C)C(=O)c1coc(COc2cccc3cccnc32)n1 ZINC000067560100 570781618 /nfs/dbraw/zinc/78/16/18/570781618.db2.gz NAPVIXOMJLTHCF-UHFFFAOYSA-N 1 2 377.404 2.808 50 0 GFAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2cc(=O)[nH]c3ccccc32)cc1 ZINC000032781551 570809241 /nfs/dbraw/zinc/80/92/41/570809241.db2.gz JZIPNEKFKBHTSP-OAQYLSRUSA-N 1 2 391.471 2.640 50 0 GFAALO COc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccc(S(C)(=O)=O)cc3)n2)cc1 ZINC000032797392 570819890 /nfs/dbraw/zinc/81/98/90/570819890.db2.gz XCYJQTORPXJUDB-ZDUSSCGKSA-N 1 2 387.461 3.000 50 0 GFAALO O=C(c1cccc(F)c1)N1CC[NH+](CCNc2cc(=O)oc3ccccc23)CC1 ZINC000101668537 570828951 /nfs/dbraw/zinc/82/89/51/570828951.db2.gz HITFKYAFOXUNIU-UHFFFAOYSA-N 1 2 395.434 2.802 50 0 GFAALO Cc1nc2ccc(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)cc2nc1C ZINC000032841503 570850105 /nfs/dbraw/zinc/85/01/05/570850105.db2.gz TZZWVHNFHDPMBE-HXUWFJFHSA-N 1 2 390.487 2.877 50 0 GFAALO Cc1nc2ccc(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)cc2nc1C ZINC000032841503 570850109 /nfs/dbraw/zinc/85/01/09/570850109.db2.gz TZZWVHNFHDPMBE-HXUWFJFHSA-N 1 2 390.487 2.877 50 0 GFAALO Cc1cccc(C(=O)NCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)c1 ZINC000012559610 570861429 /nfs/dbraw/zinc/86/14/29/570861429.db2.gz YSOJFUUHQORVLY-LJQANCHMSA-N 1 2 380.423 2.503 50 0 GFAALO COc1ccc(OCC[NH+]2CCN(C(=O)N[C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000032863299 570861587 /nfs/dbraw/zinc/86/15/87/570861587.db2.gz KKGRXJPBPSRVAG-FXAWDEMLSA-N 1 2 375.513 2.980 50 0 GFAALO C[C@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000102835358 570866757 /nfs/dbraw/zinc/86/67/57/570866757.db2.gz LGPFMQYWFDQBDY-SNRMKQJTSA-N 1 2 394.475 2.615 50 0 GFAALO CCc1ccccc1N1C[C@H](C(=O)NCCc2cn3ccccc3[nH+]2)CC1=O ZINC000032893806 570890525 /nfs/dbraw/zinc/89/05/25/570890525.db2.gz JFCHDQZRDDKOGG-QGZVFWFLSA-N 1 2 376.460 2.609 50 0 GFAALO O=C(NCCCn1cccn1)c1cccc(-c2cc(N3CCCC3)cn[nH+]2)c1 ZINC000299793967 570896640 /nfs/dbraw/zinc/89/66/40/570896640.db2.gz JDGKODYMNAFAEU-UHFFFAOYSA-N 1 2 376.464 2.760 50 0 GFAALO O=C(NCC[N@@H+]1CCO[C@H](c2ccccc2)C1)c1cc2ccccc2oc1=O ZINC000023127754 570913556 /nfs/dbraw/zinc/91/35/56/570913556.db2.gz CCIKKLTYPYPOOB-FQEVSTJZSA-N 1 2 378.428 2.596 50 0 GFAALO O=C(NCC[N@H+]1CCO[C@H](c2ccccc2)C1)c1cc2ccccc2oc1=O ZINC000023127754 570913558 /nfs/dbraw/zinc/91/35/58/570913558.db2.gz CCIKKLTYPYPOOB-FQEVSTJZSA-N 1 2 378.428 2.596 50 0 GFAALO Cc1ccc(C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCCC3)CC2)cc1Cl ZINC000076094537 570920829 /nfs/dbraw/zinc/92/08/29/570920829.db2.gz GNEKQHWEAOSGIV-MRXNPFEDSA-N 1 2 377.916 2.807 50 0 GFAALO COc1cccc(C[NH+]2CCN(C(=O)COc3cccc(C)c3)CC2)c1OC ZINC000019235145 570965583 /nfs/dbraw/zinc/96/55/83/570965583.db2.gz OZZWIZVFUKIKEN-UHFFFAOYSA-N 1 2 384.476 2.735 50 0 GFAALO CN1CC[NH+]([C@@H](CNC(=O)Cc2ccc3c(c2)CCC3)c2cccs2)CC1 ZINC000044719476 570976885 /nfs/dbraw/zinc/97/68/85/570976885.db2.gz PVMZBNRCBALGLM-FQEVSTJZSA-N 1 2 383.561 2.884 50 0 GFAALO CCn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)CCOc2ccc(C)cc2)C1 ZINC000091460565 571009294 /nfs/dbraw/zinc/00/92/94/571009294.db2.gz ZEIGSZVVGPDJOP-KRWDZBQOSA-N 1 2 377.510 2.800 50 0 GFAALO CC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1ccc(Cl)c(C)c1)CC2 ZINC000091643324 571020847 /nfs/dbraw/zinc/02/08/47/571020847.db2.gz HBDKVPRPLVAQHL-UHFFFAOYSA-N 1 2 386.883 2.908 50 0 GFAALO CCc1[nH+]c2ccccc2n1[C@H](CC)C(=O)N(C)C1CCS(=O)(=O)CC1 ZINC000095366111 571058398 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GFAALO C[C@H](O)c1cccc(-c2cccc(C(=O)NCC(C)(C)[NH+]3CCOCC3)c2)n1 ZINC000534649910 570913640 /nfs/dbraw/zinc/91/36/40/570913640.db2.gz CJKOUDMAZLZWRU-INIZCTEOSA-N 1 2 383.492 2.643 50 0 GFAALO Cc1cc2[nH]c(CCNC(=O)N3CCC[C@@H](c4cc(=O)[nH]cn4)C3)[nH+]c2cc1C ZINC000534647928 570917164 /nfs/dbraw/zinc/91/71/64/570917164.db2.gz CLVNEBWSQKQDHB-OAHLLOKOSA-N 1 2 394.479 2.807 50 0 GFAALO COc1ccc(C[NH+]2CCN(C(=O)COc3cccc(C)c3)CC2)cc1OC ZINC000019235141 570965606 /nfs/dbraw/zinc/96/56/06/570965606.db2.gz GBQBHVBAHUKIQC-UHFFFAOYSA-N 1 2 384.476 2.735 50 0 GFAALO CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000019313431 570974159 /nfs/dbraw/zinc/97/41/59/570974159.db2.gz UMPSYXKQERCAFQ-HXUWFJFHSA-N 1 2 397.450 2.679 50 0 GFAALO Cc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1N1CCNC1=O ZINC000091435286 571008021 /nfs/dbraw/zinc/00/80/21/571008021.db2.gz ALMFQUOCPUUERH-UHFFFAOYSA-N 1 2 375.432 2.640 50 0 GFAALO Cc1ccc2ncccc2c1C[N@@H+]1CC[C@H]([NH+]2CCOCC2)[C@H](CCC(=O)[O-])C1 ZINC000091444775 571008762 /nfs/dbraw/zinc/00/87/62/571008762.db2.gz BGZWLUJKLMOUSJ-GCJKJVERSA-N 1 2 397.519 2.931 50 0 GFAALO Cc1ccc2ncccc2c1C[N@H+]1CC[C@H]([NH+]2CCOCC2)[C@H](CCC(=O)[O-])C1 ZINC000091444775 571008767 /nfs/dbraw/zinc/00/87/67/571008767.db2.gz BGZWLUJKLMOUSJ-GCJKJVERSA-N 1 2 397.519 2.931 50 0 GFAALO Cc1cccc(Nc2nc(N)nc(C[N@@H+]3CC[C@@](O)(C4CCC4)[C@H](C)C3)n2)c1 ZINC000091603413 571018008 /nfs/dbraw/zinc/01/80/08/571018008.db2.gz SOZZRBVBDPNZBA-VFNWGFHPSA-N 1 2 382.512 2.879 50 0 GFAALO Cc1cccc(Nc2nc(N)nc(C[N@H+]3CC[C@@](O)(C4CCC4)[C@H](C)C3)n2)c1 ZINC000091603413 571018010 /nfs/dbraw/zinc/01/80/10/571018010.db2.gz SOZZRBVBDPNZBA-VFNWGFHPSA-N 1 2 382.512 2.879 50 0 GFAALO Cc1ccccc1C[C@@]1(CO)CCCN(C(=O)C[N@@H+](C)Cc2cccnc2)C1 ZINC000019594886 571020462 /nfs/dbraw/zinc/02/04/62/571020462.db2.gz DXAWWOSEVGFSAG-QHCPKHFHSA-N 1 2 381.520 2.666 50 0 GFAALO Cc1ccccc1C[C@@]1(CO)CCCN(C(=O)C[N@H+](C)Cc2cccnc2)C1 ZINC000019594886 571020465 /nfs/dbraw/zinc/02/04/65/571020465.db2.gz DXAWWOSEVGFSAG-QHCPKHFHSA-N 1 2 381.520 2.666 50 0 GFAALO Cc1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)c(=O)[nH]c1C ZINC000092047095 571042862 /nfs/dbraw/zinc/04/28/62/571042862.db2.gz NAIPFBXEZZKIMS-SFHVURJKSA-N 1 2 391.475 2.651 50 0 GFAALO O=C(NCc1noc(Cc2ccccc2)n1)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000095363021 571056668 /nfs/dbraw/zinc/05/66/68/571056668.db2.gz VSFQRHQJCORBCB-HXUWFJFHSA-N 1 2 377.448 2.509 50 0 GFAALO O=C(c1cn2ccccc2n1)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091462195 230962510 /nfs/dbraw/zinc/96/25/10/230962510.db2.gz VBGWKDVOQSTVEL-SFHVURJKSA-N 1 2 386.459 2.994 50 0 GFAALO Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000426571328 231242164 /nfs/dbraw/zinc/24/21/64/231242164.db2.gz ADINDMVUIHIUBE-IBGZPJMESA-N 1 2 381.524 2.750 50 0 GFAALO COc1ccc(C)cc1C[N@H+](C)CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000008130554 221026805 /nfs/dbraw/zinc/02/68/05/221026805.db2.gz IONOCTGXMDLHGB-UHFFFAOYSA-N 1 2 381.476 2.966 50 0 GFAALO COc1ccc(C)cc1C[N@@H+](C)CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000008130554 221026808 /nfs/dbraw/zinc/02/68/08/221026808.db2.gz IONOCTGXMDLHGB-UHFFFAOYSA-N 1 2 381.476 2.966 50 0 GFAALO C[C@@H](NC(=O)CCc1nc2ccccc2[nH]c1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007986198 221018850 /nfs/dbraw/zinc/01/88/50/221018850.db2.gz QDNLAQZALMFKRF-OAHLLOKOSA-N 1 2 387.443 2.919 50 0 GFAALO COC(=O)c1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000011009738 221109906 /nfs/dbraw/zinc/10/99/06/221109906.db2.gz GZFFMNVXEXAYTN-UHFFFAOYSA-N 1 2 382.464 2.657 50 0 GFAALO CC[N@H+](CCCNC(=O)c1c(O)nc2cc(C)ccn2c1=O)c1cccc(C)c1 ZINC000009830187 221091902 /nfs/dbraw/zinc/09/19/02/221091902.db2.gz IHTYMJRBZAZRCF-UHFFFAOYSA-N 1 2 394.475 2.663 50 0 GFAALO CC[N@@H+](CCCNC(=O)c1c(O)nc2cc(C)ccn2c1=O)c1cccc(C)c1 ZINC000009830187 221091906 /nfs/dbraw/zinc/09/19/06/221091906.db2.gz IHTYMJRBZAZRCF-UHFFFAOYSA-N 1 2 394.475 2.663 50 0 GFAALO COc1ccccc1C(=O)Nc1ccccc1C(=O)NCCCn1cc[nH+]c1 ZINC000010313208 221099982 /nfs/dbraw/zinc/09/99/82/221099982.db2.gz MBIXAEBPZGAPTM-UHFFFAOYSA-N 1 2 378.432 2.964 50 0 GFAALO CCn1ncc(S(=O)(=O)N2CCN(c3cc(C)c4ccccc4[nH+]3)CC2)c1C ZINC000012413645 221190227 /nfs/dbraw/zinc/19/02/27/221190227.db2.gz JAGWTTNFPMNZGZ-UHFFFAOYSA-N 1 2 399.520 2.579 50 0 GFAALO O=C(c1ccc2c(c1)OCCCO2)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000012768816 221229681 /nfs/dbraw/zinc/22/96/81/221229681.db2.gz FRNNIBNLBMFPSN-UHFFFAOYSA-N 1 2 396.443 2.535 50 0 GFAALO NC(=O)[C@H](c1ccccc1)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012776087 221230443 /nfs/dbraw/zinc/23/04/43/221230443.db2.gz WPOQWGDAHPEDEW-FQEVSTJZSA-N 1 2 380.444 2.579 50 0 GFAALO CCOc1ccccc1N1CC[NH+](CC(=O)Nc2ccc3nsnc3c2)CC1 ZINC000013324568 221265269 /nfs/dbraw/zinc/26/52/69/221265269.db2.gz PNJVMNKHNLTNFD-UHFFFAOYSA-N 1 2 397.504 2.851 50 0 GFAALO O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000013425502 221267984 /nfs/dbraw/zinc/26/79/84/221267984.db2.gz KNCDCPNZLUQYET-ZZXKWVIFSA-N 1 2 394.427 2.502 50 0 GFAALO O=C(C[C@](O)(c1ccccc1)C(F)(F)F)N1CCN(c2cccc[nH+]2)CC1 ZINC000014241762 221306079 /nfs/dbraw/zinc/30/60/79/221306079.db2.gz UINJRGRXNJPUJA-SFHVURJKSA-N 1 2 379.382 2.570 50 0 GFAALO CN(Cc1cnn(-c2ccccc2)c1)C(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000057358918 132450877 /nfs/dbraw/zinc/45/08/77/132450877.db2.gz KELHTZXRFYPJCJ-UHFFFAOYSA-N 1 2 389.503 2.653 50 0 GFAALO COc1cccc(NC(=O)C2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)c1 ZINC000065236983 136160917 /nfs/dbraw/zinc/16/09/17/136160917.db2.gz HRVIJKMNKKWLFE-UHFFFAOYSA-N 1 2 381.480 2.941 50 0 GFAALO COc1cccc(NC(=O)C2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)c1 ZINC000065236983 136160918 /nfs/dbraw/zinc/16/09/18/136160918.db2.gz HRVIJKMNKKWLFE-UHFFFAOYSA-N 1 2 381.480 2.941 50 0 GFAALO O=C(Cn1ncc2c1nc[nH+]c2N1CCCCC1)NCc1cccc(Cl)c1 ZINC000065294995 136162708 /nfs/dbraw/zinc/16/27/08/136162708.db2.gz ZARZDYUQDKHTPT-UHFFFAOYSA-N 1 2 384.871 2.786 50 0 GFAALO CC1CCN(c2[nH+]cnc3c2cnn3CC(=O)NCCCc2ccccc2)CC1 ZINC000065295541 136162762 /nfs/dbraw/zinc/16/27/62/136162762.db2.gz HVVFGYLONHWJLL-UHFFFAOYSA-N 1 2 392.507 2.812 50 0 GFAALO Cn1nc(-c2ccccc2)c2c1NC(=O)C[C@H]2c1ccc[nH+]c1N1CCOCC1 ZINC000065386679 136163943 /nfs/dbraw/zinc/16/39/43/136163943.db2.gz UACAPFVMFCEDLY-KRWDZBQOSA-N 1 2 389.459 2.793 50 0 GFAALO COc1cc(-c2[nH+]ccn2[C@@H]2CCCN(c3ncccn3)C2)cc2c1OCO2 ZINC000077564096 136172316 /nfs/dbraw/zinc/17/23/16/136172316.db2.gz NUMXBRZNVJBMMI-OAHLLOKOSA-N 1 2 379.420 2.919 50 0 GFAALO O=C(C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)NCc1ccccc1 ZINC000095950331 136182589 /nfs/dbraw/zinc/18/25/89/136182589.db2.gz WAVSVZUCOFZKHM-UHFFFAOYSA-N 1 2 378.398 2.539 50 0 GFAALO C[C@@H]1CN(c2ccc(Nc3ccc4nnc(C(F)(F)F)n4n3)c[nH+]2)C[C@H](C)O1 ZINC000096308225 136186190 /nfs/dbraw/zinc/18/61/90/136186190.db2.gz CZZXUTUIRACZHC-PHIMTYICSA-N 1 2 393.373 2.895 50 0 GFAALO C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000124356886 136192352 /nfs/dbraw/zinc/19/23/52/136192352.db2.gz OSAOUPMYPDTPIY-CQSZACIVSA-N 1 2 399.495 2.657 50 0 GFAALO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000022283158 136203631 /nfs/dbraw/zinc/20/36/31/136203631.db2.gz WSZGOZQHDYHOLK-HNNXBMFYSA-N 1 2 389.883 2.964 50 0 GFAALO O=S(=O)(c1ccc2c(c1)CCCC2)N1CC[NH+](CCc2ccccn2)CC1 ZINC000041003970 221936312 /nfs/dbraw/zinc/93/63/12/221936312.db2.gz FDCAPRUZHKBAPZ-UHFFFAOYSA-N 1 2 385.533 2.509 50 0 GFAALO Cc1c(Cl)cccc1S(=O)(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000041003972 221937261 /nfs/dbraw/zinc/93/72/61/221937261.db2.gz HNCUOMFXUFQECV-UHFFFAOYSA-N 1 2 379.913 2.592 50 0 GFAALO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc(F)ccc1F)c1ccccc1Cl ZINC000044225479 221952130 /nfs/dbraw/zinc/95/21/30/221952130.db2.gz FKWRDJUCUUSSAI-MRXNPFEDSA-N 1 2 381.810 2.976 50 0 GFAALO Cc1ccccc1-n1c(Cn2ncc3c2nc[nH+]c3N)nc2cccc(C)c2c1=O ZINC000051768817 222007090 /nfs/dbraw/zinc/00/70/90/222007090.db2.gz KQDBVHKNIYROHU-UHFFFAOYSA-N 1 2 397.442 2.773 50 0 in-vitro GFAALO COc1cccc(NC(=O)C[N@@H+]2CCc3c(c(=O)c4cc(C)ccc4n3C)C2)c1 ZINC000065034795 222096862 /nfs/dbraw/zinc/09/68/62/222096862.db2.gz DQKAMASJMUVNQJ-UHFFFAOYSA-N 1 2 391.471 2.852 50 0 GFAALO COc1cccc(NC(=O)C[N@H+]2CCc3c(c(=O)c4cc(C)ccc4n3C)C2)c1 ZINC000065034795 222096866 /nfs/dbraw/zinc/09/68/66/222096866.db2.gz DQKAMASJMUVNQJ-UHFFFAOYSA-N 1 2 391.471 2.852 50 0 GFAALO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000058180505 222044161 /nfs/dbraw/zinc/04/41/61/222044161.db2.gz NRQSXTPFVBOPSU-OAHLLOKOSA-N 1 2 377.916 2.935 50 0 GFAALO C[C@H](C(=O)NC1CCCC1)[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000058180505 222044165 /nfs/dbraw/zinc/04/41/65/222044165.db2.gz NRQSXTPFVBOPSU-OAHLLOKOSA-N 1 2 377.916 2.935 50 0 GFAALO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1S(=O)(=O)CC)c1ccco1 ZINC000058190878 222044376 /nfs/dbraw/zinc/04/43/76/222044376.db2.gz RTOWCBKSIRIXGJ-INIZCTEOSA-N 1 2 378.494 2.886 50 0 GFAALO CCOc1ccc([C@@H]2NC(=O)NC(C[NH+]3CCC(C)CC3)=C2C(=O)OC)cc1 ZINC000067287152 222144243 /nfs/dbraw/zinc/14/42/43/222144243.db2.gz VWTYLPBJDXELPK-IBGZPJMESA-N 1 2 387.480 2.598 50 0 GFAALO Cc1nc(-n2cccn2)cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)[nH+]1 ZINC000067622990 222152448 /nfs/dbraw/zinc/15/24/48/222152448.db2.gz IAEAFTKRFONGES-UHFFFAOYSA-N 1 2 382.855 2.587 50 0 GFAALO COc1ccc(OCc2cc(C(=O)N(C)Cc3[nH]cc[nH+]3)no2)c(Cl)c1 ZINC000067754645 222157608 /nfs/dbraw/zinc/15/76/08/222157608.db2.gz JNTKRFVAMPGNRA-UHFFFAOYSA-N 1 2 376.800 2.911 50 0 GFAALO Cc1ccccc1C(=O)Nc1ccnn1C1CCN(c2cc(N)nc[nH+]2)CC1 ZINC000067820857 222161966 /nfs/dbraw/zinc/16/19/66/222161966.db2.gz BLFVZBHQFQMXAE-UHFFFAOYSA-N 1 2 377.452 2.658 50 0 GFAALO CCCNC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000072153788 222213276 /nfs/dbraw/zinc/21/32/76/222213276.db2.gz PBHPKGKJRNLERY-FQEVSTJZSA-N 1 2 381.476 2.696 50 0 GFAALO CCCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000072153788 222213280 /nfs/dbraw/zinc/21/32/80/222213280.db2.gz PBHPKGKJRNLERY-FQEVSTJZSA-N 1 2 381.476 2.696 50 0 GFAALO Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N3CCn4c[nH+]cc4C3)c(Cl)cc12 ZINC000072158427 222213526 /nfs/dbraw/zinc/21/35/26/222213526.db2.gz LRDROPIGRRXYEE-GFCCVEGCSA-N 1 2 387.823 2.761 50 0 GFAALO COc1cccc(CN2CCO[C@@H](C(F)(F)F)C2)c1OCCn1cc[nH+]c1 ZINC000071751454 222191626 /nfs/dbraw/zinc/19/16/26/222191626.db2.gz LXQDBNCPPPGTCX-MRXNPFEDSA-N 1 2 385.386 2.734 50 0 GFAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1csc(CC)c1)CC2 ZINC000095511508 222342012 /nfs/dbraw/zinc/34/20/12/222342012.db2.gz XGLXEALSAXOEEJ-UHFFFAOYSA-N 1 2 386.521 2.960 50 0 GFAALO C[C@@H](Cn1cccn1)C(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000095511704 222342508 /nfs/dbraw/zinc/34/25/08/222342508.db2.gz XAVVZFXZVHZDJL-KRWDZBQOSA-N 1 2 378.480 2.565 50 0 GFAALO CC(C)OC(=O)c1ccc(COc2coc(C[NH+]3CCSCC3)cc2=O)o1 ZINC000079487829 222306085 /nfs/dbraw/zinc/30/60/85/222306085.db2.gz AAPNQRJEUMFZAN-UHFFFAOYSA-N 1 2 393.461 2.926 50 0 GFAALO CN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000083860903 222313212 /nfs/dbraw/zinc/31/32/12/222313212.db2.gz XQQPBDSEYGRGMU-UHFFFAOYSA-N 1 2 396.491 2.759 50 0 GFAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000095522076 222346433 /nfs/dbraw/zinc/34/64/33/222346433.db2.gz HWDQSIPGRRSKNT-QGZVFWFLSA-N 1 2 379.468 2.679 50 0 GFAALO C=Cc1ccc(C(=O)N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(=O)CC)cc1 ZINC000095522573 222348015 /nfs/dbraw/zinc/34/80/15/222348015.db2.gz ISZGBFIWKYOIDE-UHFFFAOYSA-N 1 2 378.476 2.979 50 0 GFAALO CC(=O)NCc1ccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000095999091 222369737 /nfs/dbraw/zinc/36/97/37/222369737.db2.gz AQTCPOCQJGFMCK-HXUWFJFHSA-N 1 2 392.459 2.946 50 0 GFAALO CC(=O)NCc1ccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000095999091 222369741 /nfs/dbraw/zinc/36/97/41/222369741.db2.gz AQTCPOCQJGFMCK-HXUWFJFHSA-N 1 2 392.459 2.946 50 0 GFAALO Cc1cccn2cc(-c3cccc(NC(=O)c4ccc(-n5cncn5)nn4)c3)[nH+]c12 ZINC000096097922 222379802 /nfs/dbraw/zinc/37/98/02/222379802.db2.gz ZNFNARAINVPBGQ-UHFFFAOYSA-N 1 2 396.414 2.933 50 0 GFAALO O=C(c1ccncc1)N1CCC(c2nnc(C[NH+]3CCCC3)n2C2CC2)CC1 ZINC000096165397 222394610 /nfs/dbraw/zinc/39/46/10/222394610.db2.gz DKDYYUOUCUIZBL-UHFFFAOYSA-N 1 2 380.496 2.624 50 0 GFAALO COc1ccccc1C[NH+]1CCN(C(=O)N[C@@H](C)Cc2cccc(C)n2)CC1 ZINC000426712787 534081896 /nfs/dbraw/zinc/08/18/96/534081896.db2.gz QSLYSCBMHIZDJS-SFHVURJKSA-N 1 2 382.508 2.857 50 0 GFAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N3CCCC[C@@H]3CO)csc2C1 ZINC000426399361 534359796 /nfs/dbraw/zinc/35/97/96/534359796.db2.gz GFOOJKDYCUBJMN-OAHLLOKOSA-N 1 2 389.521 2.898 50 0 GFAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N3CCCC[C@@H]3CO)csc2C1 ZINC000426399361 534359805 /nfs/dbraw/zinc/35/98/05/534359805.db2.gz GFOOJKDYCUBJMN-OAHLLOKOSA-N 1 2 389.521 2.898 50 0 GFAALO O=C(CN1CCCc2ccccc21)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000024573985 534536180 /nfs/dbraw/zinc/53/61/80/534536180.db2.gz GDQOGCASQMQUCM-UHFFFAOYSA-N 1 2 393.487 2.512 50 0 GFAALO O=C(Cn1c2ccccc2[nH+]c1C1CC1)NCCc1noc(C(F)(F)F)n1 ZINC000426527724 534753611 /nfs/dbraw/zinc/75/36/11/534753611.db2.gz HXMYSERBWPCPEN-UHFFFAOYSA-N 1 2 379.342 2.674 50 0 GFAALO 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396.491 2.786 50 0 GFAALO COc1ccc(CCNC(=O)[C@@H](C)[N@@H+]2CCc3ccc(O)cc3C2)cc1OC ZINC000072291830 570484581 /nfs/dbraw/zinc/48/45/81/570484581.db2.gz SFPSRHMCDBWOQL-OAHLLOKOSA-N 1 2 384.476 2.515 50 0 GFAALO COc1ccc(CCNC(=O)[C@@H](C)[N@H+]2CCc3ccc(O)cc3C2)cc1OC ZINC000072291830 570484583 /nfs/dbraw/zinc/48/45/83/570484583.db2.gz SFPSRHMCDBWOQL-OAHLLOKOSA-N 1 2 384.476 2.515 50 0 GFAALO CC[C@H](C(=O)N1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1)c1ccccc1 ZINC000030648669 570493022 /nfs/dbraw/zinc/49/30/22/570493022.db2.gz POSHLJUXYRUKOJ-FQEVSTJZSA-N 1 2 390.487 2.533 50 0 GFAALO Cc1cc(C(=O)N(CCC[NH+]2CCOCC2)c2nc3ccccc3s2)nn1C ZINC000022768195 570545832 /nfs/dbraw/zinc/54/58/32/570545832.db2.gz XSDOUZYFIBQDGC-UHFFFAOYSA-N 1 2 399.520 2.707 50 0 GFAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccccc4F)CC3)[nH+]c(C)n2)n1 ZINC000035597275 570555472 /nfs/dbraw/zinc/55/54/72/570555472.db2.gz LCXHFJKFEWEQDP-UHFFFAOYSA-N 1 2 394.454 2.689 50 0 GFAALO O=C(NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)C(=O)NC1CCCC1 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ZINC000036708260 570793767 /nfs/dbraw/zinc/79/37/67/570793767.db2.gz BOSVERMMJCQZPT-UHFFFAOYSA-N 1 2 388.422 2.709 50 0 GFAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000032860034 570860099 /nfs/dbraw/zinc/86/00/99/570860099.db2.gz MUNZTFZFLASKLE-GOSISDBHSA-N 1 2 392.434 2.740 50 0 GFAALO Cc1ccc(C(=O)NCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc1 ZINC000012559929 570861730 /nfs/dbraw/zinc/86/17/30/570861730.db2.gz CDLQIVDZGOUKAH-LJQANCHMSA-N 1 2 380.423 2.503 50 0 GFAALO CNC(=O)C1CC[NH+](Cc2csc(N(C(C)=O)c3ccccc3F)n2)CC1 ZINC000032865546 570863062 /nfs/dbraw/zinc/86/30/62/570863062.db2.gz ZWHJYJORTYUAOB-UHFFFAOYSA-N 1 2 390.484 2.925 50 0 GFAALO COCCn1c[nH+]cc1CNC(=O)c1cccc(N2Cc3ccccc3C2)c1 ZINC000299797982 570897582 /nfs/dbraw/zinc/89/75/82/570897582.db2.gz PWQSVKHDRGXQIM-UHFFFAOYSA-N 1 2 376.460 2.980 50 0 GFAALO O=S1(=O)CC[C@H](Nc2[nH+]cnc3c2cnn3-c2ccc(Cl)c(Cl)c2)C1 ZINC000023153702 570919952 /nfs/dbraw/zinc/91/99/52/570919952.db2.gz LOPIXLSLQBYPNE-VIFPVBQESA-N 1 2 398.275 2.721 50 0 GFAALO O[C@@H](COc1ccccc1)C[NH+]1CCN(c2ncc(C(F)(F)F)s2)CC1 ZINC000252491753 570974030 /nfs/dbraw/zinc/97/40/30/570974030.db2.gz LSGWCNMKFBBMLR-CYBMUJFWSA-N 1 2 387.427 2.724 50 0 GFAALO O=C(c1ccccc1)[C@H]([C@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000019364531 570979394 /nfs/dbraw/zinc/97/93/94/570979394.db2.gz DILBRNVHMMLSJR-VXKWHMMOSA-N 1 2 380.488 2.644 50 0 GFAALO O=C(COc1coc(C[NH+]2CCSCC2)cc1=O)Nc1ccc(Cl)cc1 ZINC000044890061 570982773 /nfs/dbraw/zinc/98/27/73/570982773.db2.gz JMMRLPFMJZTDCN-UHFFFAOYSA-N 1 2 394.880 2.860 50 0 GFAALO O=c1cc(CN2CC[NH+](CCOc3ccccc3)CC2)[nH]c2ccc(F)cc12 ZINC000091713594 571027247 /nfs/dbraw/zinc/02/72/47/571027247.db2.gz QMJXOUUPPSKEST-UHFFFAOYSA-N 1 2 381.451 2.864 50 0 GFAALO O=c1cc(C[NH+]2CCN(CCOc3ccccc3)CC2)[nH]c2ccc(F)cc12 ZINC000091713594 571027249 /nfs/dbraw/zinc/02/72/49/571027249.db2.gz QMJXOUUPPSKEST-UHFFFAOYSA-N 1 2 381.451 2.864 50 0 GFAALO C[N@@H+]1CCc2nc3sc(C(=O)NCc4ccc5c(c4)OCO5)c(N)c3cc2C1 ZINC000019683216 571028329 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GFAALO CC(=O)Nc1ccc(CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000016103608 221357326 /nfs/dbraw/zinc/35/73/26/221357326.db2.gz OVIOBWCRTZYZAP-UHFFFAOYSA-N 1 2 395.507 2.758 50 0 GFAALO Cc1c(C(N)=O)sc(NC(=O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c1C(=O)OC(C)C ZINC000017080891 221378349 /nfs/dbraw/zinc/37/83/49/221378349.db2.gz GAENXTZOLUPPIX-RYUDHWBXSA-N 1 2 395.525 2.922 50 0 GFAALO C[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018048613 221385632 /nfs/dbraw/zinc/38/56/32/221385632.db2.gz UINXPWYITXFBRL-HNNXBMFYSA-N 1 2 383.473 2.908 50 0 GFAALO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000018190582 221389060 /nfs/dbraw/zinc/38/90/60/221389060.db2.gz BBUYYEQLPZLOEY-HNNXBMFYSA-N 1 2 399.274 2.900 50 0 GFAALO O=C(c1cc2ccccc2oc1=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000018826792 221392868 /nfs/dbraw/zinc/39/28/68/221392868.db2.gz ZUQMBQYMAUHRCO-UHFFFAOYSA-N 1 2 378.428 2.630 50 0 GFAALO COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000019810338 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NC(=O)[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000027774327 221659975 /nfs/dbraw/zinc/65/99/75/221659975.db2.gz LOKXBWFLFRPWPN-GOSISDBHSA-N 1 2 393.409 2.929 50 0 GFAALO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nncn2-c2cccc(Cl)c2)CC1 ZINC000029617033 221695965 /nfs/dbraw/zinc/69/59/65/221695965.db2.gz VTRRUSNWWZTVNV-CYBMUJFWSA-N 1 2 379.917 2.565 50 0 GFAALO Cc1cccc(OCCNC(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000029656148 221696254 /nfs/dbraw/zinc/69/62/54/221696254.db2.gz IKRQQGSNLVORKG-UHFFFAOYSA-N 1 2 383.492 2.780 50 0 GFAALO CC(=O)N[C@H](CC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000032860001 221742554 /nfs/dbraw/zinc/74/25/54/221742554.db2.gz SOOAWHMPQLRPHL-OAQYLSRUSA-N 1 2 376.460 2.815 50 0 GFAALO C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000036395154 221858040 /nfs/dbraw/zinc/85/80/40/221858040.db2.gz XFPVDSLSAGUUEU-PBHICJAKSA-N 1 2 397.441 2.512 50 0 GFAALO COC(=O)c1ccc(S(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000048345184 221988557 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Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@@H](CO)C(C)C)csc2C1 ZINC000426690205 534365678 /nfs/dbraw/zinc/36/56/78/534365678.db2.gz AUMIWJIKRCVQRD-KRWDZBQOSA-N 1 2 377.510 2.658 50 0 GFAALO O=C(CCCc1nc(-c2cccnc2)no1)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000426677707 534380478 /nfs/dbraw/zinc/38/04/78/534380478.db2.gz PUNVLEZDGQPJDS-MRXNPFEDSA-N 1 2 380.452 2.590 50 0 GFAALO CCO[C@H](C)c1noc(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)n1 ZINC000120657475 528018459 /nfs/dbraw/zinc/01/84/59/528018459.db2.gz MJDKUEJSVFACJH-CQSZACIVSA-N 1 2 376.457 2.771 50 0 GFAALO NC(=O)Cn1c2ccccc2n(CCOc2ccc(Cl)cc2Cl)c1=[NH2+] ZINC000020082159 551115105 /nfs/dbraw/zinc/11/51/05/551115105.db2.gz XTVXHDYNDUBQLJ-UHFFFAOYSA-N 1 2 379.247 2.793 50 0 GFAALO C[C@@H]1CCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC[S@@]1=O ZINC000242178815 553087332 /nfs/dbraw/zinc/08/73/32/553087332.db2.gz XBBHPADSAISGIQ-BZQUYTCOSA-N 1 2 381.567 2.610 50 0 GFAALO CCOC(=O)N1CC[NH+](C[C@H](O)COc2ccc(OC)cc2C(C)(C)C)CC1 ZINC000019809551 570221253 /nfs/dbraw/zinc/22/12/53/570221253.db2.gz UTLRJQAYMIBHKS-INIZCTEOSA-N 1 2 394.512 2.507 50 0 GFAALO COc1ccc(/C=C/C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000020130896 570241712 /nfs/dbraw/zinc/24/17/12/570241712.db2.gz LKYSAUYVUVQAAC-WEVVVXLNSA-N 1 2 380.444 2.782 50 0 GFAALO COc1ccc(CCNc2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)cc1OC ZINC000001131440 570245950 /nfs/dbraw/zinc/24/59/50/570245950.db2.gz ZHSVEQOKAOLUDB-UHFFFAOYSA-N 1 2 398.511 2.744 50 0 GFAALO O=C(CCc1ccccc1)NC1CC[NH+](Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000048367013 570246760 /nfs/dbraw/zinc/24/67/60/570246760.db2.gz OLUNNNRPCBYBOI-UHFFFAOYSA-N 1 2 390.487 2.637 50 0 GFAALO CCOc1ccccc1CN1CC[N@H+](Cc2cnc(C)s2)C[C@H]1CCO ZINC000104428444 570258373 /nfs/dbraw/zinc/25/83/73/570258373.db2.gz RQFVGCWGFWSSGS-GOSISDBHSA-N 1 2 375.538 2.919 50 0 GFAALO CCOc1ccccc1CN1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1CCO ZINC000104428444 570258375 /nfs/dbraw/zinc/25/83/75/570258375.db2.gz RQFVGCWGFWSSGS-GOSISDBHSA-N 1 2 375.538 2.919 50 0 GFAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2cnc(C)s2)C[C@H]1CCO ZINC000104428444 570258377 /nfs/dbraw/zinc/25/83/77/570258377.db2.gz RQFVGCWGFWSSGS-GOSISDBHSA-N 1 2 375.538 2.919 50 0 GFAALO CCOc1ccccc1C[N@H+]1CCN(Cc2cnc(C)s2)C[C@H]1CCO ZINC000104428444 570258378 /nfs/dbraw/zinc/25/83/78/570258378.db2.gz RQFVGCWGFWSSGS-GOSISDBHSA-N 1 2 375.538 2.919 50 0 GFAALO COc1cccc(CNC(=O)c2cn(-c3cc(N4CCCCC4)[nH+]cn3)cn2)c1 ZINC000049411248 570266416 /nfs/dbraw/zinc/26/64/16/570266416.db2.gz GRWUFRBBBRJMIX-UHFFFAOYSA-N 1 2 392.463 2.591 50 0 GFAALO CCOC(=O)C1=C(C[N@@H+]2CCc3ccccc3C2)NC(=O)N[C@H]1c1cccs1 ZINC000020559071 570267737 /nfs/dbraw/zinc/26/77/37/570267737.db2.gz ZPKIPBJYLKSBKH-IBGZPJMESA-N 1 2 397.500 2.978 50 0 GFAALO CCOC(=O)C1=C(C[N@H+]2CCc3ccccc3C2)NC(=O)N[C@H]1c1cccs1 ZINC000020559071 570267739 /nfs/dbraw/zinc/26/77/39/570267739.db2.gz ZPKIPBJYLKSBKH-IBGZPJMESA-N 1 2 397.500 2.978 50 0 GFAALO c1ccc([C@@H]2NC3=[NH+]CN(Cc4cccnc4)CN3c3nc4ccccc4n32)nc1 ZINC000020567799 570268308 /nfs/dbraw/zinc/26/83/08/570268308.db2.gz WKBUDTOSABZKAJ-HXUWFJFHSA-N 1 2 396.458 2.570 50 0 GFAALO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nc(C3CC3)n(-c3ccccc3)n2)CC1 ZINC000021902392 570298790 /nfs/dbraw/zinc/29/87/90/570298790.db2.gz PVWIAAYGRLYGMD-OAHLLOKOSA-N 1 2 385.537 2.789 50 0 GFAALO NC(=O)COCCN1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022054192 570303686 /nfs/dbraw/zinc/30/36/86/570303686.db2.gz LVJDQBJDVOYDLA-NRFANRHFSA-N 1 2 387.911 2.549 50 0 in-vitro GFAALO NC(=O)C1CC[NH+](CC(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC1 ZINC000022240708 570309928 /nfs/dbraw/zinc/30/99/28/570309928.db2.gz NLVDMMAQCKQNKI-UHFFFAOYSA-N 1 2 392.912 2.523 50 0 GFAALO Cc1csc(SCC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000022239313 570309979 /nfs/dbraw/zinc/30/99/79/570309979.db2.gz ZLDAZUBOPLHNKY-INIZCTEOSA-N 1 2 377.535 2.561 50 0 GFAALO Cc1csc(SCC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000022239313 570309982 /nfs/dbraw/zinc/30/99/82/570309982.db2.gz ZLDAZUBOPLHNKY-INIZCTEOSA-N 1 2 377.535 2.561 50 0 GFAALO Cc1noc(C(C)C)c1C(=O)OCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000022282594 570312490 /nfs/dbraw/zinc/31/24/90/570312490.db2.gz BHNKYJXAPRLXSM-GOSISDBHSA-N 1 2 396.447 2.903 50 0 GFAALO COc1ccc(OC)c(S(=O)(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000022766749 570326647 /nfs/dbraw/zinc/32/66/47/570326647.db2.gz WTAKZYLUYUAIOW-INIZCTEOSA-N 1 2 390.505 2.771 50 0 GFAALO Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c(F)c1 ZINC000022915851 570335329 /nfs/dbraw/zinc/33/53/29/570335329.db2.gz KLRVAJZYEONVSS-UHFFFAOYSA-N 1 2 383.467 2.825 50 0 GFAALO CC(C)C[C@H](CNC(=O)c1nn(-c2ccccc2)c2c1CCC2)[NH+]1CCOCC1 ZINC000022970687 570339224 /nfs/dbraw/zinc/33/92/24/570339224.db2.gz INWUOTOCYGSYIS-LJQANCHMSA-N 1 2 396.535 2.838 50 0 GFAALO COc1ccccc1[C@@H]([C@@H](O)C(=O)c1c[nH]c2ccccc12)N1CC[NH+](C)CC1 ZINC000023119751 570344847 /nfs/dbraw/zinc/34/48/47/570344847.db2.gz TVHUIRWEOFXBRT-JTHBVZDNSA-N 1 2 393.487 2.709 50 0 GFAALO COc1ccccc1[C@@H]([C@@H](O)C(=O)c1c[nH]c2ccccc12)[NH+]1CCN(C)CC1 ZINC000023119751 570344851 /nfs/dbraw/zinc/34/48/51/570344851.db2.gz TVHUIRWEOFXBRT-JTHBVZDNSA-N 1 2 393.487 2.709 50 0 GFAALO CCc1cccc(NC(=O)C[NH+]2CCC3(CC2)N=C(c2ccccc2)C(=O)N3)c1 ZINC000035430770 570356936 /nfs/dbraw/zinc/35/69/36/570356936.db2.gz JMWWWFVCLJYTDS-UHFFFAOYSA-N 1 2 390.487 2.599 50 0 GFAALO O=C(C[C@H]1Sc2ccccc2NC1=O)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000023442964 570362794 /nfs/dbraw/zinc/36/27/94/570362794.db2.gz IIFHLDUMNHAPGY-LJQANCHMSA-N 1 2 399.491 2.973 50 0 GFAALO O=C1C(=O)N(C[N@@H+]2CCC[C@@H]2c2cccs2)C(=O)N1Cc1cccs1 ZINC000023805042 570372787 /nfs/dbraw/zinc/37/27/87/570372787.db2.gz GYVGNLSRKNRNDH-CYBMUJFWSA-N 1 2 375.475 2.895 50 0 GFAALO O=C1C(=O)N(C[N@H+]2CCC[C@@H]2c2cccs2)C(=O)N1Cc1cccs1 ZINC000023805042 570372789 /nfs/dbraw/zinc/37/27/89/570372789.db2.gz GYVGNLSRKNRNDH-CYBMUJFWSA-N 1 2 375.475 2.895 50 0 GFAALO CCc1nc2ccccc2n1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000023956207 570375904 /nfs/dbraw/zinc/37/59/04/570375904.db2.gz IHVVVTQZPNUCML-UHFFFAOYSA-N 1 2 392.503 2.747 50 0 GFAALO O=C(NCCCn1cc[nH+]c1-c1ccccc1)C(=O)NCc1ccc(F)cc1 ZINC000090583455 570380627 /nfs/dbraw/zinc/38/06/27/570380627.db2.gz QZJAQEZBRAVSRU-UHFFFAOYSA-N 1 2 380.423 2.512 50 0 GFAALO CN(C)C(=O)COc1ccccc1C(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025175360 570407781 /nfs/dbraw/zinc/40/77/81/570407781.db2.gz SVHPSXMQBGUNTG-UHFFFAOYSA-N 1 2 378.432 2.651 50 0 GFAALO COc1ccc(/C=C/C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1F ZINC000038733404 570409417 /nfs/dbraw/zinc/40/94/17/570409417.db2.gz SMJYYSTYPMYEEV-VQHVLOKHSA-N 1 2 384.451 2.996 50 0 GFAALO CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000025437334 570413685 /nfs/dbraw/zinc/41/36/85/570413685.db2.gz GJJOFPQDUUCFKO-KRWDZBQOSA-N 1 2 375.473 2.595 50 0 GFAALO CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000030541920 570491008 /nfs/dbraw/zinc/49/10/08/570491008.db2.gz YYLQYOQKNCOJCN-QGZVFWFLSA-N 1 2 391.562 2.908 50 0 GFAALO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000030562963 570491406 /nfs/dbraw/zinc/49/14/06/570491406.db2.gz OFVIUCRKISIOKY-MRXNPFEDSA-N 1 2 380.448 2.606 50 0 GFAALO C[NH+]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccccc2)N3)CC1 ZINC000038204483 570579077 /nfs/dbraw/zinc/57/90/77/570579077.db2.gz ITPGVPBKOMDJSM-ZBFHGGJFSA-N 1 2 393.413 2.931 50 0 GFAALO O=C(CCc1ccccc1)N1CC[NH+]([C@H](C(=O)NCC2CC2)C2CCCC2)CC1 ZINC000036254492 570588006 /nfs/dbraw/zinc/58/80/06/570588006.db2.gz CCPKFUWLJNNXQG-QHCPKHFHSA-N 1 2 397.563 2.848 50 0 GFAALO CCNC(=O)N1CCN(c2nc(C)[nH+]c(CC)c2Cc2ccccc2F)CC1 ZINC000006833026 570636631 /nfs/dbraw/zinc/63/66/31/570636631.db2.gz NCBNVFXJXZDEIN-UHFFFAOYSA-N 1 2 385.487 2.929 50 0 GFAALO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)OCC(=O)Nc1ccc(F)cc1Cl ZINC000072312522 570648544 /nfs/dbraw/zinc/64/85/44/570648544.db2.gz GKZSCYUGGXKGIV-QGZVFWFLSA-N 1 2 386.851 2.754 50 0 GFAALO CCCCn1c(C)c(C)nc1SCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000036393610 570678262 /nfs/dbraw/zinc/67/82/62/570678262.db2.gz GOLSKQYLEAQIFZ-UHFFFAOYSA-N 1 2 382.574 2.619 50 0 GFAALO CC[C@H](C(=O)Nc1nccs1)[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000244899364 570698382 /nfs/dbraw/zinc/69/83/82/570698382.db2.gz ZIPSVZMZPZUNCE-OAHLLOKOSA-N 1 2 385.493 2.840 50 0 GFAALO COc1ccccc1COC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000058167120 570714268 /nfs/dbraw/zinc/71/42/68/570714268.db2.gz DAEYUBBZOKTJJV-FPOVZHCZSA-N 1 2 375.440 2.785 50 0 GFAALO COc1ccccc1COC[C@@H](O)C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000058167120 570714271 /nfs/dbraw/zinc/71/42/71/570714271.db2.gz DAEYUBBZOKTJJV-FPOVZHCZSA-N 1 2 375.440 2.785 50 0 GFAALO O=S(=O)(c1ccc(OC2CCOCC2)c(F)c1)N1CCc2c[nH+]ccc21 ZINC000187345361 570724986 /nfs/dbraw/zinc/72/49/86/570724986.db2.gz SGADJFZUIQISDB-UHFFFAOYSA-N 1 2 378.425 2.530 50 0 GFAALO C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007050187 570764640 /nfs/dbraw/zinc/76/46/40/570764640.db2.gz LCSUYQZROSJBDA-AWEZNQCLSA-N 1 2 385.445 2.683 50 0 GFAALO CCc1ccc(CNc2nn3c(nc(C[NH2+]Cc4ccccc4)cc3=O)[nH]2)cc1 ZINC000101796995 570834797 /nfs/dbraw/zinc/83/47/97/570834797.db2.gz PAWBAUIXKSTNNX-UHFFFAOYSA-N 1 2 388.475 2.882 50 0 GFAALO O=c1c([C@@H]2[NH2+]CCc3c4cc(Cl)ccc4[nH]c32)c(O)nc2n1CCCS2 ZINC000102709380 570857806 /nfs/dbraw/zinc/85/78/06/570857806.db2.gz LAMXUDKHVPXHAY-HNNXBMFYSA-N 1 2 388.880 2.815 50 0 GFAALO COc1cc2nc(C)c(N3CC[NH+](Cc4nc(C)c(C)o4)CC3)nc2cc1OC ZINC000170602000 570860294 /nfs/dbraw/zinc/86/02/94/570860294.db2.gz VMLNOEAIHKPCQR-UHFFFAOYSA-N 1 2 397.479 2.882 50 0 GFAALO O=C(NCC1CCCCC1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000036255136 570860339 /nfs/dbraw/zinc/86/03/39/570860339.db2.gz FJTIPVAYTKVLLB-FQEVSTJZSA-N 1 2 375.557 2.796 50 0 GFAALO Cn1cc(-c2oncc2C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cn1 ZINC000170607863 570864765 /nfs/dbraw/zinc/86/47/65/570864765.db2.gz WPWDQYRXSNVPQU-UHFFFAOYSA-N 1 2 385.855 2.687 50 0 GFAALO CCCn1ncc(C[N@@H+]2CCn3nc(CNC(=O)C4CCCC4)cc3C2)c1C ZINC000299760642 570892334 /nfs/dbraw/zinc/89/23/34/570892334.db2.gz WCFNIWVHPVLUSW-UHFFFAOYSA-N 1 2 384.528 2.620 50 0 GFAALO 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COc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccc(C)cc3)CC2)cc1OC ZINC000020367276 570253496 /nfs/dbraw/zinc/25/34/96/570253496.db2.gz DCZRAFSTJQYBQG-UHFFFAOYSA-N 1 2 390.505 2.519 50 0 GFAALO C[N@@H+]1CCc2c3c(N)n[nH]c3nc(N3CCC(Cc4ccccc4)CC3)c2C1 ZINC000020533620 570265764 /nfs/dbraw/zinc/26/57/64/570265764.db2.gz VQWBVSYQRWTCHL-UHFFFAOYSA-N 1 2 376.508 2.987 50 0 GFAALO C[N@H+]1CCc2c3c(N)n[nH]c3nc(N3CCC(Cc4ccccc4)CC3)c2C1 ZINC000020533620 570265766 /nfs/dbraw/zinc/26/57/66/570265766.db2.gz VQWBVSYQRWTCHL-UHFFFAOYSA-N 1 2 376.508 2.987 50 0 GFAALO Cc1nc(N2CCc3c(cnc(C)c3-c3noc([C@H]4CCCO4)n3)C2)cc[nH+]1 ZINC000020541606 570266619 /nfs/dbraw/zinc/26/66/19/570266619.db2.gz FHGBAAVRDCIBSJ-MRXNPFEDSA-N 1 2 378.436 2.953 50 0 GFAALO O=C([C@@H]1CCC(=O)N(CC2CCCCC2)C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000020774858 570280076 /nfs/dbraw/zinc/28/00/76/570280076.db2.gz DSSQJSMZDCVTAK-OAQYLSRUSA-N 1 2 398.551 2.545 50 0 GFAALO O=C(Nc1ccccc1)N1CCO[C@@H](C[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000034685860 570302110 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GFAALO O=C(COC(=O)c1ccc(C[NH+]2CCOCC2)cc1)NCCC1=CCCCC1 ZINC000022358632 570343217 /nfs/dbraw/zinc/34/32/17/570343217.db2.gz CNTXZOPGZFFACE-UHFFFAOYSA-N 1 2 386.492 2.682 50 0 GFAALO CC(C)n1nc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c2ccccc2c1=O ZINC000023408908 570361407 /nfs/dbraw/zinc/36/14/07/570361407.db2.gz URSMFJIEPGBIBS-UHFFFAOYSA-N 1 2 383.477 2.674 50 0 GFAALO CC(C)n1nc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c2ccccc2c1=O ZINC000023408908 570361409 /nfs/dbraw/zinc/36/14/09/570361409.db2.gz URSMFJIEPGBIBS-UHFFFAOYSA-N 1 2 383.477 2.674 50 0 GFAALO O=C(CCCn1c(=O)oc2ccccc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000023731054 570370415 /nfs/dbraw/zinc/37/04/15/570370415.db2.gz RIDRFQWCGFSUSB-UHFFFAOYSA-N 1 2 385.489 2.781 50 0 GFAALO O=C1C(=O)N(C[N@@H+]2CCC[C@H]2c2cccs2)C(=O)N1CCc1cccs1 ZINC000023844140 570373217 /nfs/dbraw/zinc/37/32/17/570373217.db2.gz JUEKOXJIFZNSKC-AWEZNQCLSA-N 1 2 389.502 2.938 50 0 GFAALO O=C1C(=O)N(C[N@H+]2CCC[C@H]2c2cccs2)C(=O)N1CCc1cccs1 ZINC000023844140 570373218 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382.420 2.864 50 0 GFAALO Cc1cc(N2CC[NH+]([C@@H](C)c3nc4ccccc4s3)CC2)n2ncnc2n1 ZINC000026759141 570428415 /nfs/dbraw/zinc/42/84/15/570428415.db2.gz CBHXBOLLEYFQKF-AWEZNQCLSA-N 1 2 379.493 2.926 50 0 GFAALO C[C@H](NC(=O)[C@@H]1CCCN(c2cnccn2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000029755381 570479362 /nfs/dbraw/zinc/47/93/62/570479362.db2.gz YKFMPGLAJIWRDE-FUHWJXTLSA-N 1 2 376.464 2.756 50 0 GFAALO O=C(Cn1ccc2ccc(F)cc21)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000031811759 570506200 /nfs/dbraw/zinc/50/62/00/570506200.db2.gz ZUFGFODXACNLFP-UHFFFAOYSA-N 1 2 395.434 2.854 50 0 GFAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(C)cc1)[NH+]1CCC(C(N)=O)CC1)S2 ZINC000022853772 570556830 /nfs/dbraw/zinc/55/68/30/570556830.db2.gz IZQNAQGQWZGULX-MRXNPFEDSA-N 1 2 399.520 2.654 50 0 GFAALO CCOc1ccc(C[N@@H+]2CCN(Cc3ccsc3)[C@H](CCO)C2)cc1CO ZINC000038149386 570578624 /nfs/dbraw/zinc/57/86/24/570578624.db2.gz LNYFGPHXFSRLLQ-HXUWFJFHSA-N 1 2 390.549 2.708 50 0 GFAALO CCOc1ccc(C[N@H+]2CCN(Cc3ccsc3)[C@H](CCO)C2)cc1CO 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Cc1cc(N2CCN(CC(=O)N(C)Cc3ccc(F)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000032797355 570819398 /nfs/dbraw/zinc/81/93/98/570819398.db2.gz LMSQDSRYLXNMDD-UHFFFAOYSA-N 1 2 399.514 2.828 50 0 GFAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(=O)[nH]c2ccccc21)c1cccc(F)c1 ZINC000012547706 570849352 /nfs/dbraw/zinc/84/93/52/570849352.db2.gz IGZAENQWSFZWHK-LJQANCHMSA-N 1 2 376.391 2.920 50 0 GFAALO CCOc1ccc(-c2nc(C[NH+]3CCC(NS(C)(=O)=O)CC3)cs2)cc1 ZINC000032865305 570862616 /nfs/dbraw/zinc/86/26/16/570862616.db2.gz MYXMQDIOCPHMEY-UHFFFAOYSA-N 1 2 395.550 2.722 50 0 GFAALO Cn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000044443769 570880005 /nfs/dbraw/zinc/88/00/05/570880005.db2.gz PLYUYEGYCABBNV-UHFFFAOYSA-N 1 2 379.420 2.656 50 0 GFAALO COC(=O)c1c(NCCC[NH+]2CCOCC2)onc1-c1ccc(Cl)cc1 ZINC000033269059 570894253 /nfs/dbraw/zinc/89/42/53/570894253.db2.gz KDIXDZFAIFZQJE-UHFFFAOYSA-N 1 2 379.844 2.916 50 0 GFAALO O=C(NC[C@H](c1ccccc1F)[NH+]1CCCC1)N1CCC(c2nc[nH]n2)CC1 ZINC000534669085 570920208 /nfs/dbraw/zinc/92/02/08/570920208.db2.gz DKKQCFFGMPLZQD-GOSISDBHSA-N 1 2 386.475 2.670 50 0 GFAALO CN(C)S(=O)(=O)c1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)o1 ZINC000032934523 570946738 /nfs/dbraw/zinc/94/67/38/570946738.db2.gz LPLMOJJLVIMLHH-UHFFFAOYSA-N 1 2 397.928 2.501 50 0 GFAALO O=C(Cc1cccc2cccnc21)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000054520065 570962102 /nfs/dbraw/zinc/96/21/02/570962102.db2.gz VKROWZNBJHHSMN-NRFANRHFSA-N 1 2 375.472 2.967 50 0 GFAALO O=C([C@@H]1Cc2ccccc2S1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000107157130 570971752 /nfs/dbraw/zinc/97/17/52/570971752.db2.gz VMUXUBAHURMICW-DYXWJJEUSA-N 1 2 380.513 2.815 50 0 GFAALO O=C([C@@H]1Cc2ccccc2S1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000107157130 570971757 /nfs/dbraw/zinc/97/17/57/570971757.db2.gz VMUXUBAHURMICW-DYXWJJEUSA-N 1 2 380.513 2.815 50 0 GFAALO COc1ccc([C@H](C)C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)cc1 ZINC000107542271 570974289 /nfs/dbraw/zinc/97/42/89/570974289.db2.gz AKXSLJPREXHHFZ-KRWDZBQOSA-N 1 2 378.476 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/nfs/dbraw/zinc/99/61/43/570996143.db2.gz MERMMXBEVKBKKS-JTHBVZDNSA-N 1 2 381.520 2.545 50 0 GFAALO Cc1cc(C(=O)C[N@@H+]2C[C@H]3OCCN(C)[C@H]3C2)c(C)n1CCc1ccccc1 ZINC000084079666 570996146 /nfs/dbraw/zinc/99/61/46/570996146.db2.gz MERMMXBEVKBKKS-JTHBVZDNSA-N 1 2 381.520 2.545 50 0 GFAALO CC(C)c1noc(C[NH+]2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)n1 ZINC000091562861 571014365 /nfs/dbraw/zinc/01/43/65/571014365.db2.gz VBWVKYARVVHLSV-UHFFFAOYSA-N 1 2 383.496 2.993 50 0 GFAALO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)c1cc2c(cccc2F)s1 ZINC000046051591 571015204 /nfs/dbraw/zinc/01/52/04/571015204.db2.gz JYKIUBNTGNKBEH-XJKSGUPXSA-N 1 2 378.469 2.508 50 0 GFAALO COc1ccc2c(c1)[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)CC(=O)N2 ZINC000091974048 571038507 /nfs/dbraw/zinc/03/85/07/571038507.db2.gz AEQJPDJWBTUKFS-QGZVFWFLSA-N 1 2 376.416 2.623 50 0 GFAALO CN(Cc1ccccc1Cl)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031166515 654592484 /nfs/dbraw/zinc/59/24/84/654592484.db2.gz YZOPFMMFZOJNNI-GOSISDBHSA-N 1 2 383.945 2.689 50 0 GFAALO Cn1cc[nH+]c1CN1CCN(C(=O)c2ccc(-c3ccccc3O)cc2)CC1 ZINC000426490273 231228191 /nfs/dbraw/zinc/22/81/91/231228191.db2.gz VSVZYSGBCQVQHB-UHFFFAOYSA-N 1 2 376.460 2.751 50 0 GFAALO CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCCCn3cc[nH+]c3)ccc12 ZINC000005206937 204119243 /nfs/dbraw/zinc/11/92/43/204119243.db2.gz MCYMXUAUYFRKKE-OAHLLOKOSA-N 1 2 383.448 2.834 50 0 GFAALO Cc1ccc(C[S@@](=O)c2nc3c(c(N4CC[NH+](C)CC4)n2)CCCC3)cc1 ZINC000005698799 204147560 /nfs/dbraw/zinc/14/75/60/204147560.db2.gz YBOIYTIERMLBIR-MHZLTWQESA-N 1 2 384.549 2.723 50 0 GFAALO COc1cc(C(=O)Cc2[nH]c3cc4c(cc3[nH+]2)OCCO4)cc(OC)c1OC ZINC000006648668 204188400 /nfs/dbraw/zinc/18/84/00/204188400.db2.gz OGGGBGYCWAEGNI-UHFFFAOYSA-N 1 2 384.388 2.785 50 0 GFAALO COCCN(CCOC)C(=O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000007989851 204258190 /nfs/dbraw/zinc/25/81/90/204258190.db2.gz LUHHLPNFDNBQQL-UHFFFAOYSA-N 1 2 396.491 2.770 50 0 GFAALO COc1ccc(C[N@H+](C)[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1OC ZINC000007729752 204247528 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CN(C)C(=O)CCc1cccc(NC(=O)N2CCC[C@H](Cn3cc[nH+]c3)C2)c1 ZINC000096131755 570211149 /nfs/dbraw/zinc/21/11/49/570211149.db2.gz DJUGMMQJGFUIEH-GOSISDBHSA-N 1 2 383.496 2.848 50 0 GFAALO CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)c2cccc3cnccc32)CC1 ZINC000096153425 570216230 /nfs/dbraw/zinc/21/62/30/570216230.db2.gz ZYNGIBPSECCHLQ-UHFFFAOYSA-N 1 2 392.507 2.928 50 0 GFAALO COc1ccc(NC(=S)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019800246 570220777 /nfs/dbraw/zinc/22/07/77/570220777.db2.gz BYXNPOPSBKAYPV-UHFFFAOYSA-N 1 2 385.489 2.939 50 0 GFAALO CC1(C)CC(=O)c2cnc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)nc2C1 ZINC000019899928 570228747 /nfs/dbraw/zinc/22/87/47/570228747.db2.gz CSGHYWSEZAZJFP-UHFFFAOYSA-N 1 2 394.475 2.683 50 0 GFAALO COc1ccc(Cc2nc3c4c5c(sc4ncn3n2)C[N@H+](C)CC5)cc1OC ZINC000019949459 570233492 /nfs/dbraw/zinc/23/34/92/570233492.db2.gz GOWUJDLSOVDAQO-UHFFFAOYSA-N 1 2 395.488 2.935 50 0 GFAALO COc1ccc(Cc2nc3c4c5c(sc4ncn3n2)C[N@@H+](C)CC5)cc1OC ZINC000019949459 570233494 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GFAALO Cn1ncc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1-n1cccc1 ZINC000043075452 205081769 /nfs/dbraw/zinc/08/17/69/205081769.db2.gz YZTJNCIANBPEJM-JXMROGBWSA-N 1 2 375.476 2.682 50 0 GFAALO CC(C)c1cccc(O[C@H](C)C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000048354758 205121365 /nfs/dbraw/zinc/12/13/65/205121365.db2.gz CVHPJXRTJISWTL-UTKZUKDTSA-N 1 2 392.565 2.901 50 0 GFAALO CCOCCCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCC2(CC1)OCCO2 ZINC000049629736 205130102 /nfs/dbraw/zinc/13/01/02/205130102.db2.gz DULNHDLICRJWPR-SFHVURJKSA-N 1 2 396.915 2.763 50 0 GFAALO Cc1[nH+]c2ccccn2c1/C=C(\C(=O)N1CCOCC1)c1nc2ccccc2[nH]1 ZINC000050550432 205131891 /nfs/dbraw/zinc/13/18/91/205131891.db2.gz AOFUQPCWUCVWRS-PEZBUJJGSA-N 1 2 387.443 2.918 50 0 GFAALO COc1ccc(OC)c(C[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C2CC2)c1 ZINC000052565568 205132697 /nfs/dbraw/zinc/13/26/97/205132697.db2.gz JBBVKFAQDVDLCO-PZJWPPBQSA-N 1 2 388.508 2.838 50 0 GFAALO COc1ccc(OC)c(C[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C2CC2)c1 ZINC000052565568 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ZINC000095530838 535935775 /nfs/dbraw/zinc/93/57/75/535935775.db2.gz OGOYKKHELPNWEU-ZDUSSCGKSA-N 1 2 377.876 2.575 50 0 GFAALO COCC(=O)N1CCN(c2nc(C3CC3)[nH+]c(C)c2Cc2ccccc2F)CC1 ZINC000096316885 536767126 /nfs/dbraw/zinc/76/71/26/536767126.db2.gz OQAYMPDEGNOOPA-UHFFFAOYSA-N 1 2 398.482 2.687 50 0 GFAALO CCOC(=O)NCC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000003116673 551092318 /nfs/dbraw/zinc/09/23/18/551092318.db2.gz GCBOXIXCUDAPFZ-UHFFFAOYSA-N 1 2 380.798 2.622 50 0 GFAALO Cn1ncc(Br)c1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020046092 551115001 /nfs/dbraw/zinc/11/50/01/551115001.db2.gz RWENHIVQRBOVEX-VMPITWQZSA-N 1 2 389.297 2.654 50 0 GFAALO CCOC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000019958001 551115251 /nfs/dbraw/zinc/11/52/51/551115251.db2.gz PVCMZLRVCMUBGZ-CYBMUJFWSA-N 1 2 377.268 2.507 50 0 GFAALO COc1cc(Cl)ccc1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019863541 551115259 /nfs/dbraw/zinc/11/52/59/551115259.db2.gz ITFSUVBKSDOFQA-UHFFFAOYSA-N 1 2 380.897 2.855 50 0 GFAALO CN(C)S(=O)(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000030520435 551127940 /nfs/dbraw/zinc/12/79/40/551127940.db2.gz MGOALFWMMKMGRG-UHFFFAOYSA-N 1 2 399.969 2.993 50 0 GFAALO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(-n2cncn2)cc1C(F)(F)F ZINC000047674793 570214129 /nfs/dbraw/zinc/21/41/29/570214129.db2.gz WZFNODXMXIEQTA-LLVKDONJSA-N 1 2 379.346 2.693 50 0 GFAALO O=C(Nc1ccccc1CN1CCOCC1)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000096153812 570216128 /nfs/dbraw/zinc/21/61/28/570216128.db2.gz JDXSSUMAIHXWNH-SFHVURJKSA-N 1 2 383.496 2.659 50 0 GFAALO CCN(CC)c1ccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000048235007 570221502 /nfs/dbraw/zinc/22/15/02/570221502.db2.gz GWJWBGDWEWCZML-HXUWFJFHSA-N 1 2 397.523 2.950 50 0 GFAALO CCN(CC)c1ccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000048235007 570221504 /nfs/dbraw/zinc/22/15/04/570221504.db2.gz GWJWBGDWEWCZML-HXUWFJFHSA-N 1 2 397.523 2.950 50 0 GFAALO O=C(c1ccc(C[NH+]2CCOCC2)cc1)N1CCN(c2ccccc2F)CC1 ZINC000019953509 570233332 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/nfs/dbraw/zinc/26/83/53/570268353.db2.gz BBSMIYAYBWDQLS-UHFFFAOYSA-N 1 2 386.492 2.928 50 0 GFAALO COc1cc(C[N@@H+]2CCN(Cc3ccsc3)[C@@H](CCO)C2)cc(OC)c1 ZINC000020599099 570269739 /nfs/dbraw/zinc/26/97/39/570269739.db2.gz ZDYQMPNHRQLTIF-SFHVURJKSA-N 1 2 376.522 2.834 50 0 GFAALO COc1cc(C[N@H+]2CCN(Cc3ccsc3)[C@@H](CCO)C2)cc(OC)c1 ZINC000020599099 570269742 /nfs/dbraw/zinc/26/97/42/570269742.db2.gz ZDYQMPNHRQLTIF-SFHVURJKSA-N 1 2 376.522 2.834 50 0 GFAALO COCCCN1C[NH+]=C2N[C@H](c3cccs3)n3c4ccccc4nc3N2C1 ZINC000020650582 570274037 /nfs/dbraw/zinc/27/40/37/570274037.db2.gz OSQRKXPNPXBOOT-KRWDZBQOSA-N 1 2 382.493 2.677 50 0 GFAALO COc1ccccc1C[NH+]1CCN(C(=O)Cc2c(C)nc3ccccn32)CC1 ZINC000214958993 570282875 /nfs/dbraw/zinc/28/28/75/570282875.db2.gz AIDMJCVEGCZILT-UHFFFAOYSA-N 1 2 378.476 2.538 50 0 GFAALO O=C(NCCn1ncc2c1nc[nH+]c2N1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000011665928 570283860 /nfs/dbraw/zinc/28/38/60/570283860.db2.gz KYHKCQBEWJZVLM-UHFFFAOYSA-N 1 2 394.523 2.759 50 0 GFAALO O=C1CC[C@@H](C[N@@H+](Cc2cnn(-c3ccccc3F)c2)Cc2ccccn2)N1 ZINC000215310805 570287290 /nfs/dbraw/zinc/28/72/90/570287290.db2.gz AOTRMYRWUOHZEI-SFHVURJKSA-N 1 2 379.439 2.687 50 0 GFAALO O=C1CC[C@@H](C[N@H+](Cc2cnn(-c3ccccc3F)c2)Cc2ccccn2)N1 ZINC000215310805 570287294 /nfs/dbraw/zinc/28/72/94/570287294.db2.gz AOTRMYRWUOHZEI-SFHVURJKSA-N 1 2 379.439 2.687 50 0 GFAALO C[NH+]1CCN(C(=O)c2cccc(CN3CCN(c4ccccc4F)CC3)c2)CC1 ZINC000034682376 570300077 /nfs/dbraw/zinc/30/00/77/570300077.db2.gz PNUJTZJPUDGQER-UHFFFAOYSA-N 1 2 396.510 2.536 50 0 GFAALO Cc1ccc(Nc2nc(NCC[NH+]3CCOCC3)nc3nccnc32)cc1C ZINC000022735936 570325623 /nfs/dbraw/zinc/32/56/23/570325623.db2.gz HTOHXMGIZRLGPK-UHFFFAOYSA-N 1 2 379.468 2.524 50 0 GFAALO Fc1cccc(-c2nnn(CN3CC[NH+](Cc4ccc(Cl)s4)CC3)n2)c1 ZINC000022782899 570327438 /nfs/dbraw/zinc/32/74/38/570327438.db2.gz DDEQDVRPARQGFL-UHFFFAOYSA-N 1 2 392.891 2.969 50 0 GFAALO CCOc1ccc(C[N@@H+]2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)cc1CO ZINC000022852901 570331751 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2.523 50 0 GFAALO COC(=O)C[C@H](c1ccccc1)c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O ZINC000604404349 570361346 /nfs/dbraw/zinc/36/13/46/570361346.db2.gz COHAGXFEWZYSBM-QGZVFWFLSA-N 1 2 381.432 2.523 50 0 GFAALO COc1ccc([C@@H](NC(=O)c2cnc3c(c2)c(C)nn3C)c2[nH+]ccn2C)cc1 ZINC000024026321 570377351 /nfs/dbraw/zinc/37/73/51/570377351.db2.gz NMRJCRNZOWVCKK-GOSISDBHSA-N 1 2 390.447 2.538 50 0 GFAALO Cc1nc(-c2ccccn2)sc1C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000024987030 570402055 /nfs/dbraw/zinc/40/20/55/570402055.db2.gz DQOKEIQGPHYHEL-INIZCTEOSA-N 1 2 388.537 2.990 50 0 GFAALO CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000025047612 570404172 /nfs/dbraw/zinc/40/41/72/570404172.db2.gz XWDXUAUEONVUPW-MRXNPFEDSA-N 1 2 387.480 2.609 50 0 GFAALO CN(C)C(=O)[C@H]1CCC[N@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000025047612 570404176 /nfs/dbraw/zinc/40/41/76/570404176.db2.gz XWDXUAUEONVUPW-MRXNPFEDSA-N 1 2 387.480 2.609 50 0 GFAALO O=C1C[C@@H]([NH+]2CCN(c3ccccc3)CC2)C(=O)N1Cc1ccc(Cl)cc1 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390.509 2.782 50 0 GFAALO CC(C)Oc1ccccc1N1CC[NH+](CC(=O)NCCOc2ccccc2)CC1 ZINC000242100098 206128433 /nfs/dbraw/zinc/12/84/33/206128433.db2.gz WEIQRIQBNFPLKX-UHFFFAOYSA-N 1 2 397.519 2.791 50 0 GFAALO COc1ccc(OC)c(S(=O)(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000007986070 221019367 /nfs/dbraw/zinc/01/93/67/221019367.db2.gz JBCIHWMMLFETPZ-AWEZNQCLSA-N 1 2 387.461 2.929 50 0 GFAALO C[C@H](NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1cc(F)ccc1F ZINC000040091447 132395327 /nfs/dbraw/zinc/39/53/27/132395327.db2.gz XRRJKJSDZSFWST-ZDUSSCGKSA-N 1 2 376.407 2.757 50 0 GFAALO Cc1nc(NC(=O)[C@H]2CCCN(c3ccc(-n4cc[nH+]c4)nn3)C2)sc1C ZINC000062022897 136156290 /nfs/dbraw/zinc/15/62/90/136156290.db2.gz RKHZMNIITWRRSE-AWEZNQCLSA-N 1 2 383.481 2.591 50 0 GFAALO CC(C)c1ccc(C(=O)N[C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000065212819 136160175 /nfs/dbraw/zinc/16/01/75/136160175.db2.gz ZAUOHLCJTLFPHC-QGZVFWFLSA-N 1 2 380.492 2.672 50 0 GFAALO Cc1cc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)n(-c2ccccc2)n1 ZINC000068739740 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Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@H](C)Cn3cccn3)csc2C1 ZINC000426573291 534365601 /nfs/dbraw/zinc/36/56/01/534365601.db2.gz OYFSGOZQZKJRJW-CYBMUJFWSA-N 1 2 399.520 2.926 50 0 GFAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@H](C)Cn3cccn3)csc2C1 ZINC000426573291 534365611 /nfs/dbraw/zinc/36/56/11/534365611.db2.gz OYFSGOZQZKJRJW-CYBMUJFWSA-N 1 2 399.520 2.926 50 0 GFAALO Cn1c(CCNC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)nc2ccccc21 ZINC000426584850 534683528 /nfs/dbraw/zinc/68/35/28/534683528.db2.gz RRBZFWOPBVFTAT-UHFFFAOYSA-N 1 2 379.464 2.764 50 0 GFAALO O=C(/C=C/c1ccccc1)N1CCC(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000008231353 527631324 /nfs/dbraw/zinc/63/13/24/527631324.db2.gz BOAFTXIRKMWOKM-MDZDMXLPSA-N 1 2 388.471 2.903 50 0 GFAALO CCNc1cc(N2CCC[C@@H](CCC(=O)NCCc3ccccn3)C2)nc[nH+]1 ZINC000065244993 535520043 /nfs/dbraw/zinc/52/00/43/535520043.db2.gz LKGMQSLVKAYVLJ-KRWDZBQOSA-N 1 2 382.512 2.659 50 0 GFAALO CCNc1cc(N2CCC[C@@H](CCC(=O)NCCc3ccccn3)C2)[nH+]cn1 ZINC000065244993 535520049 /nfs/dbraw/zinc/52/00/49/535520049.db2.gz LKGMQSLVKAYVLJ-KRWDZBQOSA-N 1 2 382.512 2.659 50 0 GFAALO Brc1ccc2[nH]c3nc(SCC[NH+]4CCOCC4)nnc3c2c1 ZINC000020324880 551115839 /nfs/dbraw/zinc/11/58/39/551115839.db2.gz IGKCHCRBHSDDCQ-UHFFFAOYSA-N 1 2 394.298 2.693 50 0 GFAALO O=C(COc1ccc(Br)cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000020149823 551115881 /nfs/dbraw/zinc/11/58/81/551115881.db2.gz IMSNGNVFNFPCRL-UHFFFAOYSA-N 1 2 390.281 2.567 50 0 GFAALO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000237155930 553075520 /nfs/dbraw/zinc/07/55/20/553075520.db2.gz TWJNURNPMCKXFZ-VIFPVBQESA-N 1 2 385.686 2.614 50 0 GFAALO CC[NH+](CC)CCNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O ZINC000100630028 560052841 /nfs/dbraw/zinc/05/28/41/560052841.db2.gz MOHICZWCIHQMGW-UHFFFAOYSA-N 1 2 393.487 2.827 50 0 biogenic,in-vitro GFAALO CCCN(Cc1[nH+]ccn1C)C(=O)Nc1cc(NS(C)(=O)=O)ccc1C ZINC000096131599 570211192 /nfs/dbraw/zinc/21/11/92/570211192.db2.gz HMYLWJARKOMFBC-UHFFFAOYSA-N 1 2 379.486 2.544 50 0 GFAALO C[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2)CC1 ZINC000015727965 570220617 /nfs/dbraw/zinc/22/06/17/570220617.db2.gz FTAQNABYEKJWDH-UHFFFAOYSA-N 1 2 393.443 2.838 50 0 GFAALO COc1ccc(C[N@@H+]2CCN(Cc3nc4ccccc4[nH]3)C[C@H]2CCO)c(F)c1 ZINC000104461625 570258478 /nfs/dbraw/zinc/25/84/78/570258478.db2.gz KKOPHZJLGWKCJF-QGZVFWFLSA-N 1 2 398.482 2.779 50 0 GFAALO COc1ccc(C[N@H+]2CCN(Cc3nc4ccccc4[nH]3)C[C@H]2CCO)c(F)c1 ZINC000104461625 570258480 /nfs/dbraw/zinc/25/84/80/570258480.db2.gz KKOPHZJLGWKCJF-QGZVFWFLSA-N 1 2 398.482 2.779 50 0 GFAALO Cc1ccc(CN2CC[N@H+](Cc3cccn3-c3cccnc3)C[C@H]2CCO)o1 ZINC000104468883 570259253 /nfs/dbraw/zinc/25/92/53/570259253.db2.gz ICJLNGMHKZLCQK-HXUWFJFHSA-N 1 2 380.492 2.843 50 0 GFAALO Cc1ccc(CN2CC[N@@H+](Cc3cccn3-c3cccnc3)C[C@H]2CCO)o1 ZINC000104468883 570259256 /nfs/dbraw/zinc/25/92/56/570259256.db2.gz ICJLNGMHKZLCQK-HXUWFJFHSA-N 1 2 380.492 2.843 50 0 GFAALO Cc1cccc(C[N@@H+]2CCN(Cc3ccc(-n4cccn4)cc3)C[C@@H]2CCO)n1 ZINC000020539611 570266649 /nfs/dbraw/zinc/26/66/49/570266649.db2.gz ZXIUAOQLCBGGPM-QHCPKHFHSA-N 1 2 391.519 2.645 50 0 GFAALO Cc1cccc(C[N@H+]2CCN(Cc3ccc(-n4cccn4)cc3)C[C@@H]2CCO)n1 ZINC000020539611 570266650 /nfs/dbraw/zinc/26/66/50/570266650.db2.gz ZXIUAOQLCBGGPM-QHCPKHFHSA-N 1 2 391.519 2.645 50 0 GFAALO COc1ccccc1OCc1nc2c3c4c(sc3ncn2n1)C[N@H+](C)CC4 ZINC000020566903 570267985 /nfs/dbraw/zinc/26/79/85/570267985.db2.gz HSHPERDARRBTGN-UHFFFAOYSA-N 1 2 381.461 2.915 50 0 GFAALO COc1ccccc1OCc1nc2c3c4c(sc3ncn2n1)C[N@@H+](C)CC4 ZINC000020566903 570267988 /nfs/dbraw/zinc/26/79/88/570267988.db2.gz HSHPERDARRBTGN-UHFFFAOYSA-N 1 2 381.461 2.915 50 0 GFAALO C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000049934818 570272804 /nfs/dbraw/zinc/27/28/04/570272804.db2.gz OSLBOAMBGODQGY-QGZVFWFLSA-N 1 2 394.519 2.846 50 0 GFAALO CCOc1ccc(NC(=O)c2ccccc2NC(=O)C[NH+]2CCC(O)CC2)cc1 ZINC000021334889 570290457 /nfs/dbraw/zinc/29/04/57/570290457.db2.gz DETDTNFIOGVXJO-UHFFFAOYSA-N 1 2 397.475 2.733 50 0 GFAALO O=S(=O)(NCC1([NH+]2CCOCC2)CCCCC1)C1=Cc2ccccc2CC1 ZINC000012947606 570317432 /nfs/dbraw/zinc/31/74/32/570317432.db2.gz NWVLBXZNNHHGBY-UHFFFAOYSA-N 1 2 390.549 2.928 50 0 GFAALO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)c1cc2ccccc2oc1=O ZINC000022465808 570318006 /nfs/dbraw/zinc/31/80/06/570318006.db2.gz MIMHRNSTEVZXAK-MRXNPFEDSA-N 1 2 384.457 2.658 50 0 GFAALO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000014602394 570319652 /nfs/dbraw/zinc/31/96/52/570319652.db2.gz IXUUGYLPPLAYAH-INIZCTEOSA-N 1 2 394.443 2.687 50 0 GFAALO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000014602394 570319654 /nfs/dbraw/zinc/31/96/54/570319654.db2.gz IXUUGYLPPLAYAH-INIZCTEOSA-N 1 2 394.443 2.687 50 0 GFAALO O=C(C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)N(C1=CCCCC1)C1CC1 ZINC000022774065 570327033 /nfs/dbraw/zinc/32/70/33/570327033.db2.gz BNVHYFZCSKDKKZ-UHFFFAOYSA-N 1 2 397.519 2.982 50 0 GFAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)N(C1=CCCCC1)C1CC1 ZINC000022774065 570327035 /nfs/dbraw/zinc/32/70/35/570327035.db2.gz BNVHYFZCSKDKKZ-UHFFFAOYSA-N 1 2 397.519 2.982 50 0 GFAALO O=S(=O)(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc2c(c1)CCCC2 ZINC000023674307 570329412 /nfs/dbraw/zinc/32/94/12/570329412.db2.gz WLQRWWCJJOJUMC-UHFFFAOYSA-N 1 2 392.565 2.879 50 0 GFAALO C[C@@H](C(=O)NCCc1cccs1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000022810847 570329647 /nfs/dbraw/zinc/32/96/47/570329647.db2.gz AISVUSQREAJGOS-INIZCTEOSA-N 1 2 375.513 2.752 50 0 GFAALO C[C@@H](C(=O)NCCc1cccs1)[NH+]1CCN(Cc2ccccc2F)CC1 ZINC000022810847 570329648 /nfs/dbraw/zinc/32/96/48/570329648.db2.gz AISVUSQREAJGOS-INIZCTEOSA-N 1 2 375.513 2.752 50 0 GFAALO O=C(c1ccco1)N1CCC(C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000023717676 570330164 /nfs/dbraw/zinc/33/01/64/570330164.db2.gz PNENCIPXXIQHBH-UHFFFAOYSA-N 1 2 387.505 2.538 50 0 GFAALO Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000575612082 570336034 /nfs/dbraw/zinc/33/60/34/570336034.db2.gz JAOJFBDHVDNGAG-QGZVFWFLSA-N 1 2 378.498 2.708 50 0 GFAALO O=C(c1cc(-c2ccc3c(c2)OCO3)n[nH]1)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000575613532 570339210 /nfs/dbraw/zinc/33/92/10/570339210.db2.gz RPUOHBLLHNDBJS-MRXNPFEDSA-N 1 2 392.415 2.884 50 0 GFAALO CC(C)C[C@@H](CNC(=O)c1nn(-c2ccccc2)c2c1CCC2)[NH+]1CCOCC1 ZINC000022970684 570339240 /nfs/dbraw/zinc/33/92/40/570339240.db2.gz INWUOTOCYGSYIS-IBGZPJMESA-N 1 2 396.535 2.838 50 0 GFAALO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)C1 ZINC000023177965 570347951 /nfs/dbraw/zinc/34/79/51/570347951.db2.gz IFIDAYCJUGTIDK-OAHLLOKOSA-N 1 2 388.443 2.533 50 0 GFAALO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)C1 ZINC000023177965 570347953 /nfs/dbraw/zinc/34/79/53/570347953.db2.gz IFIDAYCJUGTIDK-OAHLLOKOSA-N 1 2 388.443 2.533 50 0 GFAALO COCc1ccc(C[N@@H+]2CCN(Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)o1 ZINC000023375176 570358496 /nfs/dbraw/zinc/35/84/96/570358496.db2.gz MTFDQHPUCPAWHG-IBGZPJMESA-N 1 2 388.508 2.812 50 0 GFAALO COCc1ccc(C[N@H+]2CCN(Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)o1 ZINC000023375176 570358499 /nfs/dbraw/zinc/35/84/99/570358499.db2.gz MTFDQHPUCPAWHG-IBGZPJMESA-N 1 2 388.508 2.812 50 0 GFAALO O=C(CCNC(=O)Nc1ccccc1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000023702090 570369563 /nfs/dbraw/zinc/36/95/63/570369563.db2.gz WAPFLYAOEDFSKS-UHFFFAOYSA-N 1 2 384.455 2.682 50 0 GFAALO O=C(CSc1nnc(NC2CC2)s1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023732830 570370764 /nfs/dbraw/zinc/37/07/64/570370764.db2.gz WTYARWLCNJXXAP-UHFFFAOYSA-N 1 2 389.550 2.549 50 0 GFAALO CC(C)c1ccc(S(=O)(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1 ZINC000023761313 570371632 /nfs/dbraw/zinc/37/16/32/570371632.db2.gz RSUOLEOLJXXUTP-NRFANRHFSA-N 1 2 388.533 2.850 50 0 GFAALO Cc1cc(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)c2c(=O)[nH]n(C)c2n1 ZINC000032701144 570392819 /nfs/dbraw/zinc/39/28/19/570392819.db2.gz DVTFYLIQZZPYOA-UHFFFAOYSA-N 1 2 399.882 2.594 50 0 GFAALO O=C(C[NH+]1CCN(Cc2cn3ccccc3n2)CC1)N1CCC[C@H]2CCCC[C@H]21 ZINC000025063710 570405068 /nfs/dbraw/zinc/40/50/68/570405068.db2.gz IBLKCFZEDACGJO-TZIWHRDSSA-N 1 2 395.551 2.633 50 0 GFAALO O=C(c1cnn(Cc2ccccc2Cl)c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000025402592 570413303 /nfs/dbraw/zinc/41/33/03/570413303.db2.gz YHUCIAXZPFFHHE-UHFFFAOYSA-N 1 2 395.894 2.938 50 0 GFAALO Cc1cc(N2CCN(C(=O)Cc3noc4ccccc34)CC2)nc(C(C)C)[nH+]1 ZINC000027017194 570430812 /nfs/dbraw/zinc/43/08/12/570430812.db2.gz CUDJZTNNGAGRAA-UHFFFAOYSA-N 1 2 379.464 2.941 50 0 GFAALO COc1ccnc(N2CC[NH+]([C@H](C)c3nc(-c4ccc(C)c(F)c4)no3)CC2)n1 ZINC000140257651 570455603 /nfs/dbraw/zinc/45/56/03/570455603.db2.gz JVOCEDHGNCXJPW-CQSZACIVSA-N 1 2 398.442 2.866 50 0 GFAALO CC(C)CN1C[C@H](C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)CC1=O ZINC000029781790 570479982 /nfs/dbraw/zinc/47/99/82/570479982.db2.gz JYCKHFPJTMDBDG-OAHLLOKOSA-N 1 2 378.542 2.818 50 0 GFAALO COCCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2ccco2)CC1 ZINC000035957468 570486301 /nfs/dbraw/zinc/48/63/01/570486301.db2.gz PTKROYWGDIEMIF-UHFFFAOYSA-N 1 2 382.464 2.809 50 0 GFAALO C[NH+]1CCN(C(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)CC1 ZINC000057800775 570541695 /nfs/dbraw/zinc/54/16/95/570541695.db2.gz FNQBAESOVRNAEY-UHFFFAOYSA-N 1 2 395.410 2.864 50 0 GFAALO COc1cc(NC(=O)N[C@H]2CCC[C@H]2n2cc[nH+]c2)ccc1N1CCCC1=O ZINC000072311432 570544279 /nfs/dbraw/zinc/54/42/79/570544279.db2.gz XKWMOIAVXHCZKD-JKSUJKDBSA-N 1 2 383.452 2.934 50 0 GFAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1ncc(-c2ccc(F)cc2)o1 ZINC000206588165 570563909 /nfs/dbraw/zinc/56/39/09/570563909.db2.gz CXLVASLFBWAZQB-UHFFFAOYSA-N 1 2 382.395 2.642 50 0 GFAALO COCC[N@@H+](Cc1nc(=O)c2c(C)c(C)sc2[nH]1)C[C@@H](O)c1ccccc1 ZINC000036204414 570568974 /nfs/dbraw/zinc/56/89/74/570568974.db2.gz WSWBYESWJOUDSE-MRXNPFEDSA-N 1 2 387.505 2.783 50 0 GFAALO COCC[N@H+](Cc1nc(=O)c2c(C)c(C)sc2[nH]1)C[C@@H](O)c1ccccc1 ZINC000036204414 570568979 /nfs/dbraw/zinc/56/89/79/570568979.db2.gz WSWBYESWJOUDSE-MRXNPFEDSA-N 1 2 387.505 2.783 50 0 GFAALO O=C(C(=O)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1)c1ccccc1 ZINC000055182458 570685744 /nfs/dbraw/zinc/68/57/44/570685744.db2.gz IRQJJAZSGOSZGF-OAQYLSRUSA-N 1 2 395.478 2.822 50 0 GFAALO Cc1ccc(C(=O)NCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc1C ZINC000012627406 570691839 /nfs/dbraw/zinc/69/18/39/570691839.db2.gz PKRAAAPKAHWENZ-HXUWFJFHSA-N 1 2 394.450 2.812 50 0 GFAALO COC(=O)C1CC[NH+](CC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)CC1 ZINC000012801177 570717642 /nfs/dbraw/zinc/71/76/42/570717642.db2.gz DVOYPXQMBJLESO-UHFFFAOYSA-N 1 2 395.431 2.912 50 0 GFAALO O=C(c1ccccc1F)N1CCC[N@@H+]([C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097945158 570756020 /nfs/dbraw/zinc/75/60/20/570756020.db2.gz IRYGKPOVIDGENB-NRFANRHFSA-N 1 2 395.478 2.775 50 0 GFAALO O=C(c1ccccc1F)N1CCC[N@H+]([C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097945158 570756022 /nfs/dbraw/zinc/75/60/22/570756022.db2.gz IRYGKPOVIDGENB-NRFANRHFSA-N 1 2 395.478 2.775 50 0 GFAALO CCOc1ccccc1C(=O)NCC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018048673 570798036 /nfs/dbraw/zinc/79/80/36/570798036.db2.gz DSBNBHFTNXEOAP-MRXNPFEDSA-N 1 2 392.459 2.878 50 0 GFAALO CCn1c2ccccc2[nH+]c1N1CCN(C(=O)Cc2ccc(OC)cc2)CC1 ZINC000033106629 570811519 /nfs/dbraw/zinc/81/15/19/570811519.db2.gz IEEMBECRSHFZKX-UHFFFAOYSA-N 1 2 378.476 2.956 50 0 GFAALO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)[C@@H](C)C(=O)N1CCCC1 ZINC000007268090 570822438 /nfs/dbraw/zinc/82/24/38/570822438.db2.gz WYPHAHWNPQKARD-ZDUSSCGKSA-N 1 2 382.302 2.639 50 0 GFAALO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)[C@@H](C)C(=O)N1CCCC1 ZINC000007268090 570822443 /nfs/dbraw/zinc/82/24/43/570822443.db2.gz WYPHAHWNPQKARD-ZDUSSCGKSA-N 1 2 382.302 2.639 50 0 GFAALO COc1cc(C[N@H+](C)CN2C(=O)c3ccccc3C2=O)ccc1OC(F)F ZINC000014244919 570836967 /nfs/dbraw/zinc/83/69/67/570836967.db2.gz WVEIUNXLNCPOST-UHFFFAOYSA-N 1 2 376.359 2.982 50 0 GFAALO COc1cc(C[N@@H+](C)CN2C(=O)c3ccccc3C2=O)ccc1OC(F)F ZINC000014244919 570836969 /nfs/dbraw/zinc/83/69/69/570836969.db2.gz WVEIUNXLNCPOST-UHFFFAOYSA-N 1 2 376.359 2.982 50 0 GFAALO O=C(NCc1ccc(C[NH+]2CCOCC2)o1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000170595053 570853015 /nfs/dbraw/zinc/85/30/15/570853015.db2.gz HBLGASAMKCYBIC-IAGOWNOFSA-N 1 2 376.403 2.810 50 0 GFAALO Cc1ccc(C)c(S(=O)(=O)CC[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1 ZINC000015304867 570888423 /nfs/dbraw/zinc/88/84/23/570888423.db2.gz HAWCEVBGDMIFKC-UHFFFAOYSA-N 1 2 375.490 2.980 50 0 GFAALO Cc1ccc(C)c(S(=O)(=O)CC[N@H+](C)Cc2ccc3c(c2)OCCO3)c1 ZINC000015304867 570888426 /nfs/dbraw/zinc/88/84/26/570888426.db2.gz HAWCEVBGDMIFKC-UHFFFAOYSA-N 1 2 375.490 2.980 50 0 GFAALO Cc1cccc(N2CC[NH+](CC(=O)NCCCOCc3ccccc3)CC2)c1 ZINC000012608197 570889616 /nfs/dbraw/zinc/88/96/16/570889616.db2.gz GVSUROWYMSAIRF-UHFFFAOYSA-N 1 2 381.520 2.840 50 0 GFAALO CNC(=O)NC(=O)[C@H](c1ccccc1)[N@H+](C)Cc1cnn(Cc2ccccc2)c1 ZINC000015508967 570895651 /nfs/dbraw/zinc/89/56/51/570895651.db2.gz CTOFGGXUCWLQDT-FQEVSTJZSA-N 1 2 391.475 2.560 50 0 GFAALO CNC(=O)NC(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1cnn(Cc2ccccc2)c1 ZINC000015508967 570895654 /nfs/dbraw/zinc/89/56/54/570895654.db2.gz CTOFGGXUCWLQDT-FQEVSTJZSA-N 1 2 391.475 2.560 50 0 GFAALO CNC(=O)NC(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1cnn(Cc2ccccc2)c1 ZINC000015508969 570895728 /nfs/dbraw/zinc/89/57/28/570895728.db2.gz CTOFGGXUCWLQDT-HXUWFJFHSA-N 1 2 391.475 2.560 50 0 GFAALO CNC(=O)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1cnn(Cc2ccccc2)c1 ZINC000015508969 570895730 /nfs/dbraw/zinc/89/57/30/570895730.db2.gz CTOFGGXUCWLQDT-HXUWFJFHSA-N 1 2 391.475 2.560 50 0 GFAALO COc1ccccc1OCC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000023105905 570904845 /nfs/dbraw/zinc/90/48/45/570904845.db2.gz VQBGSOBVHNSALI-IBGZPJMESA-N 1 2 384.476 2.572 50 0 GFAALO CC(=O)[C@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016035140 570912378 /nfs/dbraw/zinc/91/23/78/570912378.db2.gz AFQFQUJZXHMQPR-FUMNGEBKSA-N 1 2 376.387 2.930 50 0 GFAALO CC(=O)[C@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016035140 570912381 /nfs/dbraw/zinc/91/23/81/570912381.db2.gz AFQFQUJZXHMQPR-FUMNGEBKSA-N 1 2 376.387 2.930 50 0 GFAALO O=C(NC[C@@H](c1ccccc1F)[NH+]1CCCC1)N1CCC(c2nc[nH]n2)CC1 ZINC000534669087 570920262 /nfs/dbraw/zinc/92/02/62/570920262.db2.gz DKKQCFFGMPLZQD-SFHVURJKSA-N 1 2 386.475 2.670 50 0 GFAALO O=Cc1ccc(N2CC[NH+](C[C@@H](O)COCc3ccccc3Cl)CC2)s1 ZINC000025665266 570948475 /nfs/dbraw/zinc/94/84/75/570948475.db2.gz FMUVWMMVRZPOFT-MRXNPFEDSA-N 1 2 394.924 2.914 50 0 GFAALO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)NC(=O)NC1 ZINC000019534441 570999640 /nfs/dbraw/zinc/99/96/40/570999640.db2.gz GLKLRUXLQJMDDH-OAHLLOKOSA-N 1 2 386.477 2.563 50 0 GFAALO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)NC(=O)NC1 ZINC000019534441 570999646 /nfs/dbraw/zinc/99/96/46/570999646.db2.gz GLKLRUXLQJMDDH-OAHLLOKOSA-N 1 2 386.477 2.563 50 0 GFAALO Cc1ccccc1CC(=O)N1CCC2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)CC1 ZINC000091547942 571013806 /nfs/dbraw/zinc/01/38/06/571013806.db2.gz WEBGMFLNJWFIHP-UHFFFAOYSA-N 1 2 394.519 2.735 50 0 GFAALO Cc1ccccc1CC(=O)N1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1 ZINC000091547942 571013808 /nfs/dbraw/zinc/01/38/08/571013808.db2.gz WEBGMFLNJWFIHP-UHFFFAOYSA-N 1 2 394.519 2.735 50 0 GFAALO CC(=O)N[C@@H]1C[N@H+](Cc2nccn2Cc2ccccc2)C[C@H]1c1ccc(C)o1 ZINC000095502102 571076641 /nfs/dbraw/zinc/07/66/41/571076641.db2.gz DJUGKKDLRGDVEV-WOJBJXKFSA-N 1 2 378.476 2.937 50 0 GFAALO CC(=O)N[C@@H]1C[N@@H+](Cc2nccn2Cc2ccccc2)C[C@H]1c1ccc(C)o1 ZINC000095502102 571076642 /nfs/dbraw/zinc/07/66/42/571076642.db2.gz DJUGKKDLRGDVEV-WOJBJXKFSA-N 1 2 378.476 2.937 50 0 GFAALO COCCn1cc[nH+]c1C1CCN(C(=O)CCc2ccc3c(c2)OCO3)CC1 ZINC000095505996 571078375 /nfs/dbraw/zinc/07/83/75/571078375.db2.gz MJNYPHVAZUGTHR-UHFFFAOYSA-N 1 2 385.464 2.597 50 0 GFAALO CCn1nc(C)cc1C(=O)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000095505609 571078654 /nfs/dbraw/zinc/07/86/54/571078654.db2.gz HKYXSMGNGZNLDC-UHFFFAOYSA-N 1 2 378.480 2.871 50 0 GFAALO COc1cccc(CN2CC3(CC2=O)CC[NH+](Cc2nnc(C4CC4)o2)CC3)c1 ZINC000095506316 571078995 /nfs/dbraw/zinc/07/89/95/571078995.db2.gz YEBPTTLCMAATDO-UHFFFAOYSA-N 1 2 396.491 2.970 50 0 GFAALO O=C(Cc1cccc(O)c1)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095509894 571081045 /nfs/dbraw/zinc/08/10/45/571081045.db2.gz PNWONJKAHQZCNK-IBGZPJMESA-N 1 2 376.460 2.981 50 0 GFAALO COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(-n3cccn3)cc2)C1 ZINC000095524406 571089634 /nfs/dbraw/zinc/08/96/34/571089634.db2.gz RGYLZRBFMDBMOI-SFHVURJKSA-N 1 2 379.464 2.735 50 0 GFAALO O=C(NCc1nncn1C1CCCCC1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000426515463 231233395 /nfs/dbraw/zinc/23/33/95/231233395.db2.gz CDNDBLICHBWHSI-UHFFFAOYSA-N 1 2 384.484 2.931 50 0 GFAALO O=C(NCC1(c2ccccc2)CCOCC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000426612534 231246935 /nfs/dbraw/zinc/24/69/35/231246935.db2.gz GGOHLLFMGVZIDE-UHFFFAOYSA-N 1 2 383.492 2.855 50 0 GFAALO CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000426527093 530022548 /nfs/dbraw/zinc/02/25/48/530022548.db2.gz WRZNCSPFRJVOQY-MRXNPFEDSA-N 1 2 382.468 2.788 50 0 GFAALO CC(=O)c1cccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000003453793 204007272 /nfs/dbraw/zinc/00/72/72/204007272.db2.gz GGZVLTBWJDMXDA-SFHVURJKSA-N 1 2 376.478 2.988 50 0 GFAALO CSc1ccccc1NC(=O)C[N@H+](C)Cc1cc(=O)n2c(C)csc2n1 ZINC000006510177 204181380 /nfs/dbraw/zinc/18/13/80/204181380.db2.gz QHRPNNXPBWLTGJ-UHFFFAOYSA-N 1 2 388.518 2.857 50 0 GFAALO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cc(=O)n2c(C)csc2n1 ZINC000006510177 204181385 /nfs/dbraw/zinc/18/13/85/204181385.db2.gz QHRPNNXPBWLTGJ-UHFFFAOYSA-N 1 2 388.518 2.857 50 0 GFAALO COc1cc2oc(=O)c(CC(=O)NCCCn3cc[nH+]c3)c(C)c2cc1Cl ZINC000006659371 204189156 /nfs/dbraw/zinc/18/91/56/204189156.db2.gz BVHCYFHKJOBIOP-UHFFFAOYSA-N 1 2 389.839 2.709 50 0 GFAALO C[NH+]1CCN(C(=O)c2ccc(C[S@@](=O)Cc3ccc(Cl)cc3)o2)CC1 ZINC000006895772 204221788 /nfs/dbraw/zinc/22/17/88/204221788.db2.gz JMGMMYBHQNKKIK-RUZDIDTESA-N 1 2 380.897 2.770 50 0 GFAALO C[C@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000008327064 204272097 /nfs/dbraw/zinc/27/20/97/204272097.db2.gz YFFHETZNAAFILP-ZFWWWQNUSA-N 1 2 383.477 2.591 50 0 GFAALO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1c(C)c2cc(Cl)c(O)cc2oc1=O ZINC000009576803 204316600 /nfs/dbraw/zinc/31/66/00/204316600.db2.gz BUOJQOHALVDRLN-LBPRGKRZSA-N 1 2 378.856 2.603 50 0 GFAALO CC[N@H+]1CCC[C@H]1CNC(=O)Cc1c(C)c2cc(Cl)c(O)cc2oc1=O ZINC000009576803 204316604 /nfs/dbraw/zinc/31/66/04/204316604.db2.gz BUOJQOHALVDRLN-LBPRGKRZSA-N 1 2 378.856 2.603 50 0 GFAALO Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)s1 ZINC000036700288 204324814 /nfs/dbraw/zinc/32/48/14/204324814.db2.gz GNNVJVTVBJLNIJ-QGZVFWFLSA-N 1 2 380.535 2.798 50 0 GFAALO Cc1ccc(S(=O)(=O)NCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)s1 ZINC000036700288 204324819 /nfs/dbraw/zinc/32/48/19/204324819.db2.gz GNNVJVTVBJLNIJ-QGZVFWFLSA-N 1 2 380.535 2.798 50 0 GFAALO CC(=O)N1CCN(c2[nH+]cccc2CNC(=O)c2ccc3ccccc3c2)CC1 ZINC000011934071 204362896 /nfs/dbraw/zinc/36/28/96/204362896.db2.gz HDJIAONADLHNBL-UHFFFAOYSA-N 1 2 388.471 2.833 50 0 GFAALO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2nccn2C)CC1 ZINC000012305458 204392961 /nfs/dbraw/zinc/39/29/61/204392961.db2.gz SIFXZROYIIZUSO-UHFFFAOYSA-N 1 2 394.479 2.715 50 0 GFAALO O=C(C[NH+]1CCN(c2ccc(Cl)cc2)CC1)NCCc1ccc(F)cc1 ZINC000013323493 204487597 /nfs/dbraw/zinc/48/75/97/204487597.db2.gz GGZYPGRORKPWSY-UHFFFAOYSA-N 1 2 375.875 2.960 50 0 GFAALO Cc1[nH+]c[nH]c1CN1CC(=O)N(CC(C)C)C[C@@H](OCc2cccc(F)c2)C1 ZINC000014531755 204534254 /nfs/dbraw/zinc/53/42/54/204534254.db2.gz NZTKWXHZUPJANM-IBGZPJMESA-N 1 2 388.487 2.743 50 0 GFAALO COc1ccc(C[NH+]2CCN(C(=O)c3ccccc3N3CCCC3=O)CC2)cc1 ZINC000024149298 204819011 /nfs/dbraw/zinc/81/90/11/204819011.db2.gz LGTKJMFTXODTDS-UHFFFAOYSA-N 1 2 393.487 2.780 50 0 GFAALO O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000031327208 204903022 /nfs/dbraw/zinc/90/30/22/204903022.db2.gz SQKFCSMEPRZBAA-UHFFFAOYSA-N 1 2 379.382 2.796 50 0 GFAALO C[C@H]1CCCCN1C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000036250196 205009030 /nfs/dbraw/zinc/00/90/30/205009030.db2.gz IPJWPQIOTMIUNI-FXAWDEMLSA-N 1 2 387.524 2.997 50 0 GFAALO CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)c1ccc2c(c1)OCO2 ZINC000039358334 205040685 /nfs/dbraw/zinc/04/06/85/205040685.db2.gz HCJCVZIKTIRCQE-UHFFFAOYSA-N 1 2 390.443 2.814 50 0 GFAALO COc1ccc(-c2cc(C(F)F)nc(NCC[NH+]3CCOCC3)n2)cc1OC ZINC000036614000 205018148 /nfs/dbraw/zinc/01/81/48/205018148.db2.gz BSHCXPHXQZVTLO-UHFFFAOYSA-N 1 2 394.422 2.843 50 0 GFAALO CCOc1ccccc1CN1CC[N@H+](Cc2cn(CC)nc2C)C[C@H]1CCO ZINC000039531534 205041966 /nfs/dbraw/zinc/04/19/66/205041966.db2.gz MSRKDXAWDHBVRA-OAQYLSRUSA-N 1 2 386.540 2.679 50 0 GFAALO CCOc1ccccc1CN1CC[N@@H+](Cc2cn(CC)nc2C)C[C@H]1CCO ZINC000039531534 205041973 /nfs/dbraw/zinc/04/19/73/205041973.db2.gz MSRKDXAWDHBVRA-OAQYLSRUSA-N 1 2 386.540 2.679 50 0 GFAALO Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1cccc(F)c1 ZINC000048324896 205120390 /nfs/dbraw/zinc/12/03/90/205120390.db2.gz WWSGNKKAIRNRBM-HNAYVOBHSA-N 1 2 384.455 2.556 50 0 GFAALO C[C@H]([NH2+]Cc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc2ccccc2c1 ZINC000049581373 205128927 /nfs/dbraw/zinc/12/89/27/205128927.db2.gz HDRCRIMPHSLLNJ-HNNXBMFYSA-N 1 2 386.455 2.886 50 0 GFAALO O=C(/C=C\c1cc(Cl)c2c(c1)OCCO2)N1CC[NH+](Cc2ccncc2)CC1 ZINC000057291313 205154648 /nfs/dbraw/zinc/15/46/48/205154648.db2.gz ZCXCKTKELFVLSK-UPHRSURJSA-N 1 2 399.878 2.864 50 0 GFAALO O=C(NCc1cccnc1-n1cc[nH+]c1)C1(c2ccc(F)cc2)CCOCC1 ZINC000057202892 205154824 /nfs/dbraw/zinc/15/48/24/205154824.db2.gz SBUNVVALAXDZTF-UHFFFAOYSA-N 1 2 380.423 2.771 50 0 GFAALO COc1ccc(CCn2nnnc2[C@H](c2ccc(C)cc2)[NH+](C)C)cc1OC ZINC000057740032 205161759 /nfs/dbraw/zinc/16/17/59/205161759.db2.gz RRCLHCCQAMNNRT-FQEVSTJZSA-N 1 2 381.480 2.892 50 0 GFAALO CCOc1ccccc1NC(=O)[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000058137310 205163867 /nfs/dbraw/zinc/16/38/67/205163867.db2.gz HVYKZJYSRBKBDL-QFBILLFUSA-N 1 2 388.489 2.542 50 0 GFAALO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1 ZINC000058763434 205179011 /nfs/dbraw/zinc/17/90/11/205179011.db2.gz ZTHBVWGEYYMTFC-UHFFFAOYSA-N 1 2 383.427 2.574 50 0 GFAALO COC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2OC)C[N@@H+]1Cc1cccc(C)c1 ZINC000064084262 205189328 /nfs/dbraw/zinc/18/93/28/205189328.db2.gz HNEUGVBYLCOWDE-HKUYNNGSSA-N 1 2 382.460 2.550 50 0 GFAALO COC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2OC)C[N@H+]1Cc1cccc(C)c1 ZINC000064084262 205189331 /nfs/dbraw/zinc/18/93/31/205189331.db2.gz HNEUGVBYLCOWDE-HKUYNNGSSA-N 1 2 382.460 2.550 50 0 GFAALO O=C(Cn1c[nH+]c2cc3c(cc21)OCCO3)NCCOc1ccc(Cl)cc1 ZINC000064794886 205195622 /nfs/dbraw/zinc/19/56/22/205195622.db2.gz OXXAEUASWUYBGC-UHFFFAOYSA-N 1 2 387.823 2.656 50 0 GFAALO CCN(CC)c1cc(CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC000065269962 205225242 /nfs/dbraw/zinc/22/52/42/205225242.db2.gz ANQQNFSEJJJXJS-UHFFFAOYSA-N 1 2 390.528 2.940 50 0 GFAALO CCOC(=O)C1C(C[NH+]2CCC(C)CC2)=NC(=O)N[C@H]1c1cccc(F)c1 ZINC000067287230 205244109 /nfs/dbraw/zinc/24/41/09/205244109.db2.gz KBKMLECJCADAPR-SFHVURJKSA-N 1 2 375.444 2.729 50 0 GFAALO O=C(Cc1cc2c(cc1Cl)OCCO2)NCc1cccnc1-n1cc[nH+]c1 ZINC000067868263 205264283 /nfs/dbraw/zinc/26/42/83/205264283.db2.gz TYBCZNXGUHUJLP-UHFFFAOYSA-N 1 2 384.823 2.551 50 0 GFAALO O=c1oc2ccccc2n1CCN1CCc2[nH+]c[nH]c2[C@H]1c1cccc(O)c1 ZINC000067919719 205268221 /nfs/dbraw/zinc/26/82/21/205268221.db2.gz OHWQSCLVTUXQAO-HXUWFJFHSA-N 1 2 376.416 2.671 50 0 GFAALO O=C(CSc1ccc(F)cc1)N1CCCSC[C@H]1C[NH+]1CCOCC1 ZINC000090609121 205275190 /nfs/dbraw/zinc/27/51/90/205275190.db2.gz MSUPXKQKNRPKNK-MRXNPFEDSA-N 1 2 384.542 2.584 50 0 GFAALO CC(C)c1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000072143051 205311316 /nfs/dbraw/zinc/31/13/16/205311316.db2.gz UEKAFKVJAZEFJA-MRXNPFEDSA-N 1 2 378.480 2.735 50 0 GFAALO CC(C)=CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCc2[nH]c3c(cccc3C)c2C1 ZINC000072158077 205312462 /nfs/dbraw/zinc/31/24/62/205312462.db2.gz ZJELQKXMFUMSCB-FQEVSTJZSA-N 1 2 394.519 2.518 50 0 GFAALO CC(C)=CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCc2[nH]c3c(cccc3C)c2C1 ZINC000072158077 205312467 /nfs/dbraw/zinc/31/24/67/205312467.db2.gz ZJELQKXMFUMSCB-FQEVSTJZSA-N 1 2 394.519 2.518 50 0 GFAALO CN(Cc1n[nH]c2c1CCCCC2)c1nc(-c2cccnc2)nc2c1C[NH2+]C2 ZINC000072171543 205316126 /nfs/dbraw/zinc/31/61/26/205316126.db2.gz XGJOKHNJGHWZFM-UHFFFAOYSA-N 1 2 375.480 2.770 50 0 GFAALO O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NCCNc1cccc[nH+]1 ZINC000072271146 205319330 /nfs/dbraw/zinc/31/93/30/205319330.db2.gz QPTXMSWFWNHAHL-UHFFFAOYSA-N 1 2 390.443 2.832 50 0 GFAALO Cc1[nH]c(=O)c(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c(C)c1Cl ZINC000072424460 205348138 /nfs/dbraw/zinc/34/81/38/205348138.db2.gz ZDVUZYWJTDGCFN-UHFFFAOYSA-N 1 2 377.847 2.742 50 0 GFAALO O=C(C[N@@H+]1CCC[C@H]1c1nc(-c2ccccn2)no1)NCCc1ccccc1 ZINC000077524928 205365979 /nfs/dbraw/zinc/36/59/79/205365979.db2.gz SSRVQQQHPQUGIQ-SFHVURJKSA-N 1 2 377.448 2.627 50 0 GFAALO O=C(C[N@H+]1CCC[C@H]1c1nc(-c2ccccn2)no1)NCCc1ccccc1 ZINC000077524928 205365983 /nfs/dbraw/zinc/36/59/83/205365983.db2.gz SSRVQQQHPQUGIQ-SFHVURJKSA-N 1 2 377.448 2.627 50 0 GFAALO COCCn1ccc2c1cccc2C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000079483401 205383699 /nfs/dbraw/zinc/38/36/99/205383699.db2.gz PXBLACIHEHBHBN-UHFFFAOYSA-N 1 2 392.503 2.683 50 0 GFAALO 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GFAALO C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000124356651 136192464 /nfs/dbraw/zinc/19/24/64/136192464.db2.gz OSAOUPMYPDTPIY-AWEZNQCLSA-N 1 2 399.495 2.657 50 0 GFAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NC[C@@H]3CCOC3)csc2C1 ZINC000426739769 534359944 /nfs/dbraw/zinc/35/99/44/534359944.db2.gz MSBDHJNWCYVUOO-AWEZNQCLSA-N 1 2 375.494 2.678 50 0 GFAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NC[C@@H]3CCOC3)csc2C1 ZINC000426739769 534359952 /nfs/dbraw/zinc/35/99/52/534359952.db2.gz MSBDHJNWCYVUOO-AWEZNQCLSA-N 1 2 375.494 2.678 50 0 GFAALO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2nc(Br)cs2)C[C@H](C)O1 ZINC000097165719 551196367 /nfs/dbraw/zinc/19/63/67/551196367.db2.gz KTKIHQCLPNADIU-AOOOYVTPSA-N 1 2 376.320 2.523 50 0 GFAALO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2nc(Br)cs2)C[C@H](C)O1 ZINC000097165719 551196370 /nfs/dbraw/zinc/19/63/70/551196370.db2.gz KTKIHQCLPNADIU-AOOOYVTPSA-N 1 2 376.320 2.523 50 0 GFAALO O=C(CSc1[nH+]cnc2c1cnn2CCO)Nc1cccc(C(F)(F)F)c1 ZINC000000646723 570213920 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ZINC000090607816 136176122 /nfs/dbraw/zinc/17/61/22/136176122.db2.gz BZXLIFNHKSNJDF-UHFFFAOYSA-N 1 2 381.867 2.812 50 0 GFAALO Cc1noc(C)c1CN1CC2(CC1=O)CCN(c1cccc([C@@H](C)O)[nH+]1)CC2 ZINC000095366232 136178325 /nfs/dbraw/zinc/17/83/25/136178325.db2.gz VAERZPXHEIVFBN-OAHLLOKOSA-N 1 2 384.480 2.759 50 0 GFAALO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ncnc4sccc43)CC2)[C@@H]1C ZINC000127547847 136192600 /nfs/dbraw/zinc/19/26/00/136192600.db2.gz OQVMJADRHSWPEA-INMHGKMJSA-N 1 2 387.553 2.754 50 0 GFAALO COC(=O)NC[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2)CC1 ZINC000022851344 136204603 /nfs/dbraw/zinc/20/46/03/136204603.db2.gz RTVQIILSEFKREF-SFHVURJKSA-N 1 2 383.448 2.635 50 0 GFAALO Cn1c[nH+]c(CCN2Cc3c(cccc3C(=O)NCC3=CCCCC3)C2=O)c1 ZINC000072478655 222267027 /nfs/dbraw/zinc/26/70/27/222267027.db2.gz BGIWVMIUONXLDW-UHFFFAOYSA-N 1 2 378.476 2.849 50 0 GFAALO C[C@@H](CNC(=O)c1cccc(-c2cc(C(=O)NC3CC3)ccn2)c1)n1cc[nH+]c1 ZINC000426581355 534043921 /nfs/dbraw/zinc/04/39/21/534043921.db2.gz 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386.471 2.988 50 0 GFAALO COc1ccc([C@H]2NC3=[NH+]CN(C(C)C)CN3c3nc4ccccc4n32)cc1 ZINC000020101424 570239287 /nfs/dbraw/zinc/23/92/87/570239287.db2.gz LDOPZEVSAVSEEI-IBGZPJMESA-N 1 2 376.464 2.996 50 0 GFAALO COc1ccc(NC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(OC)c1 ZINC000020247493 570249883 /nfs/dbraw/zinc/24/98/83/570249883.db2.gz AZBGRNSGNAYAMM-UHFFFAOYSA-N 1 2 399.447 2.782 50 0 GFAALO Cc1c[nH]c(CN(C)C(=O)c2cccc(-n3nc(C)c4ccccc4c3=O)c2)[nH+]1 ZINC000020255775 570250330 /nfs/dbraw/zinc/25/03/30/570250330.db2.gz PYNLJUOLXSTHMB-UHFFFAOYSA-N 1 2 387.443 2.998 50 0 GFAALO CCOc1ccc(NC(=O)C[N@@H+]2CCc3[nH]c4ccccc4c(=O)c3C2)cc1 ZINC000048988351 570256764 /nfs/dbraw/zinc/25/67/64/570256764.db2.gz GKUBOPIXFGIQTG-UHFFFAOYSA-N 1 2 377.444 2.924 50 0 GFAALO CCOc1ccc(NC(=O)C[N@H+]2CCc3[nH]c4ccccc4c(=O)c3C2)cc1 ZINC000048988351 570256765 /nfs/dbraw/zinc/25/67/65/570256765.db2.gz GKUBOPIXFGIQTG-UHFFFAOYSA-N 1 2 377.444 2.924 50 0 GFAALO O=C(CSCc1ccccc1)N1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000049031327 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CCN1CCC[N@H+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1=O ZINC000241946694 206129971 /nfs/dbraw/zinc/12/99/71/206129971.db2.gz UNEYLGXFVQUUPB-NRFANRHFSA-N 1 2 379.504 2.641 50 0 GFAALO CCN1CCC[N@@H+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1=O ZINC000241946694 206129975 /nfs/dbraw/zinc/12/99/75/206129975.db2.gz UNEYLGXFVQUUPB-NRFANRHFSA-N 1 2 379.504 2.641 50 0 GFAALO COc1ccc(CC2=NO[C@H](C(=O)N3CCCC[C@H]3c3[nH+]ccn3C)C2)cc1 ZINC000299783596 206190854 /nfs/dbraw/zinc/19/08/54/206190854.db2.gz ZQMUPXKRTVVRBE-OALUTQOASA-N 1 2 382.464 2.870 50 0 GFAALO Cc1cccc(C(=O)N2CCC(=O)N(Cc3cn4cccc(C)c4[nH+]3)CC2)c1 ZINC000299796725 206192379 /nfs/dbraw/zinc/19/23/79/206192379.db2.gz PLXFUACNYUDBDB-UHFFFAOYSA-N 1 2 376.460 2.826 50 0 GFAALO CCCN1C(=O)C(=O)N(C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)C1=O ZINC000014242282 221306667 /nfs/dbraw/zinc/30/66/67/221306667.db2.gz XPNRGDFWVFCUQS-KRWDZBQOSA-N 1 2 383.473 2.854 50 0 GFAALO CCCN1C(=O)C(=O)N(C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)C1=O ZINC000014242282 221306670 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Cc1cc(C)c(NC(=O)C[C@@H]2COc3ccc(C(=O)N(C)C)cc3N2C)c(C)[nH+]1 ZINC000071746777 136166029 /nfs/dbraw/zinc/16/60/29/136166029.db2.gz TYLSXZJGMPWVTI-QGZVFWFLSA-N 1 2 396.491 2.935 50 0 GFAALO COc1ccc(C[NH+]2CCN(c3nc(C)cc(C(F)(F)F)n3)CC2)cc1O ZINC000072158864 136167183 /nfs/dbraw/zinc/16/71/83/136167183.db2.gz FVNYBTFLNJBJIU-UHFFFAOYSA-N 1 2 382.386 2.840 50 0 GFAALO CCc1nc(N2CCC[C@H](c3cc(N4CCOCC4)nc(C)[nH+]3)C2)ncc1C ZINC000072422682 136169885 /nfs/dbraw/zinc/16/98/85/136169885.db2.gz WZORWGYCBUDXOT-KRWDZBQOSA-N 1 2 382.512 2.666 50 0 GFAALO CSc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000064573223 222075475 /nfs/dbraw/zinc/07/54/75/222075475.db2.gz NDPLSWSLXNUQNW-UHFFFAOYSA-N 1 2 392.546 2.719 50 0 GFAALO COc1ccccc1-n1cnnc1C[NH+]1CCC(C(=O)n2nc(C)cc2C)CC1 ZINC000409444230 533930781 /nfs/dbraw/zinc/93/07/81/533930781.db2.gz TZBHMTIAQSXFPE-UHFFFAOYSA-N 1 2 394.479 2.642 50 0 GFAALO COc1ccc(OC)c(CN2CC[N@H+](Cc3ccccc3F)[C@@H](CCO)C2)c1 ZINC000023153348 524826633 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GFAALO COc1cc(Br)c(C[NH2+][C@H]2CCCn3c(C)nnc32)cc1OC ZINC000170655314 551637163 /nfs/dbraw/zinc/63/71/63/551637163.db2.gz VVSILKNDKXUHAC-ZDUSSCGKSA-N 1 2 381.274 2.991 50 0 GFAALO O=C(c1ccccc1)N1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000000634588 570212413 /nfs/dbraw/zinc/21/24/13/570212413.db2.gz TUOHAIMSYDWAQE-UHFFFAOYSA-N 1 2 384.443 2.778 50 0 GFAALO CCOC(=O)c1c2c(sc1NC(=O)CC[NH+]1CCOCC1)C[C@H](C)CC2 ZINC000019902485 570228868 /nfs/dbraw/zinc/22/88/68/570228868.db2.gz IDQGBMNAMAIMHE-CYBMUJFWSA-N 1 2 380.510 2.710 50 0 GFAALO CCOc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[NH+]2CCC(O)CC2)cc1 ZINC000022627609 570229095 /nfs/dbraw/zinc/22/90/95/570229095.db2.gz ZQYIQVKXHAWVKV-MRXNPFEDSA-N 1 2 388.493 2.750 50 0 GFAALO Cc1ccc([C@H](CNC(=O)c2ccccc2-c2[nH]cc[nH+]2)N2CCOCC2)o1 ZINC000097474991 570244596 /nfs/dbraw/zinc/24/45/96/570244596.db2.gz BVRHEOKNEXCWMS-SFHVURJKSA-N 1 2 380.448 2.781 50 0 GFAALO COc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000020191335 570246509 /nfs/dbraw/zinc/24/65/09/570246509.db2.gz DHGZGEFJUNCWFT-UHFFFAOYSA-N 1 2 385.489 2.654 50 0 GFAALO CCOc1ccccc1NC(=O)CN1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000020190219 570246745 /nfs/dbraw/zinc/24/67/45/570246745.db2.gz AERASUMDZZQTPC-UHFFFAOYSA-N 1 2 383.492 2.850 50 0 GFAALO CN(Cc1n[nH]c(=O)[nH]1)C(=O)c1ccc([C@@H]2CCC[N@@H+]2C2CCCC2)s1 ZINC000020449652 570256548 /nfs/dbraw/zinc/25/65/48/570256548.db2.gz OSQTXUINAOSTGP-ZDUSSCGKSA-N 1 2 375.498 2.511 50 0 GFAALO CN(Cc1n[nH]c(=O)[nH]1)C(=O)c1ccc([C@@H]2CCC[N@H+]2C2CCCC2)s1 ZINC000020449652 570256553 /nfs/dbraw/zinc/25/65/53/570256553.db2.gz OSQTXUINAOSTGP-ZDUSSCGKSA-N 1 2 375.498 2.511 50 0 GFAALO Cc1ccc(C[N@@H+]2CCN(Cc3cccc(-n4cccn4)c3)C[C@H]2CCO)o1 ZINC000104371311 570257034 /nfs/dbraw/zinc/25/70/34/570257034.db2.gz IBQWXWWXNJYKQW-OAQYLSRUSA-N 1 2 380.492 2.843 50 0 GFAALO Cc1ccc(C[N@H+]2CCN(Cc3cccc(-n4cccn4)c3)C[C@H]2CCO)o1 ZINC000104371311 570257035 /nfs/dbraw/zinc/25/70/35/570257035.db2.gz IBQWXWWXNJYKQW-OAQYLSRUSA-N 1 2 380.492 2.843 50 0 GFAALO COc1ccc(NC(=O)c2cn(-c3cc(N4CCCCC4)[nH+]cn3)cn2)cc1 ZINC000049411210 570266458 /nfs/dbraw/zinc/26/64/58/570266458.db2.gz NMZUQXGARSJAKY-UHFFFAOYSA-N 1 2 378.436 2.914 50 0 GFAALO CSc1ccc(C[N@H+](C)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000012865334 570269023 /nfs/dbraw/zinc/26/90/23/570269023.db2.gz HSFSTDWZYKMCKZ-UHFFFAOYSA-N 1 2 383.473 2.789 50 0 GFAALO CSc1ccc(C[N@@H+](C)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000012865334 570269026 /nfs/dbraw/zinc/26/90/26/570269026.db2.gz HSFSTDWZYKMCKZ-UHFFFAOYSA-N 1 2 383.473 2.789 50 0 GFAALO COc1ccc(C[N@@H+]2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)c(OC)c1C ZINC000020912265 570284578 /nfs/dbraw/zinc/28/45/78/570284578.db2.gz ROEZIAAPEVHJSD-IBGZPJMESA-N 1 2 388.508 2.982 50 0 GFAALO COc1ccc(C[N@H+]2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)c(OC)c1C ZINC000020912265 570284581 /nfs/dbraw/zinc/28/45/81/570284581.db2.gz ROEZIAAPEVHJSD-IBGZPJMESA-N 1 2 388.508 2.982 50 0 GFAALO S=C(NCC[NH+]1CCOCC1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000021548609 570292373 /nfs/dbraw/zinc/29/23/73/570292373.db2.gz XHDUSNGWGJDSIW-UHFFFAOYSA-N 1 2 381.505 2.849 50 0 GFAALO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nc(C3CC3)n(-c3ccccc3)n2)CC1 ZINC000021902396 570298841 /nfs/dbraw/zinc/29/88/41/570298841.db2.gz PVWIAAYGRLYGMD-HNNXBMFYSA-N 1 2 385.537 2.789 50 0 GFAALO Cc1cccc(NC(=O)CN2CC[NH+](CC(=O)N(C(C)C)C(C)C)CC2)c1C ZINC000022783306 570327257 /nfs/dbraw/zinc/32/72/57/570327257.db2.gz SMUUAEATAPVFTB-UHFFFAOYSA-N 1 2 388.556 2.505 50 0 GFAALO C[C@@H](C(=O)NCCc1cccs1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000022806884 570329504 /nfs/dbraw/zinc/32/95/04/570329504.db2.gz UQBIUEPLXGXCEO-KRWDZBQOSA-N 1 2 399.560 2.548 50 0 GFAALO C[C@@H](C(=O)NCCc1cccs1)[NH+]1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000022806884 570329506 /nfs/dbraw/zinc/32/95/06/570329506.db2.gz UQBIUEPLXGXCEO-KRWDZBQOSA-N 1 2 399.560 2.548 50 0 GFAALO O=C(C[N@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)NCc1cccnc1 ZINC000035404453 570351403 /nfs/dbraw/zinc/35/14/03/570351403.db2.gz WMQGTDRGXQTACV-UHFFFAOYSA-N 1 2 391.450 2.812 50 0 GFAALO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)NCc1cccnc1 ZINC000035404453 570351405 /nfs/dbraw/zinc/35/14/05/570351405.db2.gz WMQGTDRGXQTACV-UHFFFAOYSA-N 1 2 391.450 2.812 50 0 GFAALO CCc1nn(C)c(Cl)c1C[N@@H+]1CCn2nc([C@@H](O)c3ccccc3)cc2C1 ZINC000219902321 570377934 /nfs/dbraw/zinc/37/79/34/570377934.db2.gz SCLBEHXLUHQQKS-IBGZPJMESA-N 1 2 385.899 2.930 50 0 GFAALO CCc1nn(C)c(Cl)c1C[N@H+]1CCn2nc([C@@H](O)c3ccccc3)cc2C1 ZINC000219902321 570377937 /nfs/dbraw/zinc/37/79/37/570377937.db2.gz SCLBEHXLUHQQKS-IBGZPJMESA-N 1 2 385.899 2.930 50 0 GFAALO COc1ccc(OCC[N@H+](C)CN2C(=O)NC3(C2=O)[C@@H](C)CCC[C@@H]3C)cc1 ZINC000024443421 570383943 /nfs/dbraw/zinc/38/39/43/570383943.db2.gz KYJFKRCKPVDENJ-HOTGVXAUSA-N 1 2 389.496 2.710 50 0 GFAALO COc1ccc(OCC[N@@H+](C)CN2C(=O)NC3(C2=O)[C@@H](C)CCC[C@@H]3C)cc1 ZINC000024443421 570383944 /nfs/dbraw/zinc/38/39/44/570383944.db2.gz KYJFKRCKPVDENJ-HOTGVXAUSA-N 1 2 389.496 2.710 50 0 GFAALO O=C(c1ccc2c(c1)nnn2Cc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 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/nfs/dbraw/zinc/17/18/32/136171832.db2.gz VXKSPHCOGNRJIX-UHFFFAOYSA-N 1 2 393.426 2.981 50 0 GFAALO CCOc1ccccc1N1CC[NH+]([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000095483546 136179618 /nfs/dbraw/zinc/17/96/18/136179618.db2.gz QBFCOIHPTGJJGR-LJQANCHMSA-N 1 2 379.460 2.539 50 0 GFAALO CCOc1cccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)c1 ZINC000100560624 136189064 /nfs/dbraw/zinc/18/90/64/136189064.db2.gz GANBTVQGIBLVOI-HXUWFJFHSA-N 1 2 379.460 2.539 50 0 GFAALO Cc1cccc(N2C(=O)c3cc(C)nc(SCC[NH+]4CCOCC4)c3C2=O)c1 ZINC000025180253 524534882 /nfs/dbraw/zinc/53/48/82/524534882.db2.gz DVUWEWSFBCMNNO-UHFFFAOYSA-N 1 2 397.500 2.923 50 0 GFAALO Cc1ccc(C(=O)NC2CC[NH+]([C@@H](C)C(=O)Nc3nccs3)CC2)s1 ZINC000051098417 551162313 /nfs/dbraw/zinc/16/23/13/551162313.db2.gz LQUKNRSKIYEOPV-LBPRGKRZSA-N 1 2 378.523 2.734 50 0 GFAALO C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007986186 560206589 /nfs/dbraw/zinc/20/65/89/560206589.db2.gz CXFUNVLSNZEBDZ-HNNXBMFYSA-N 1 2 387.443 2.919 50 0 in-vitro GFAALO Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1cccc(F)c1 ZINC000048324897 570235743 /nfs/dbraw/zinc/23/57/43/570235743.db2.gz WWSGNKKAIRNRBM-KXBFYZLASA-N 1 2 384.455 2.556 50 0 GFAALO COC(=O)c1ccc(NC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000048374719 570249856 /nfs/dbraw/zinc/24/98/56/570249856.db2.gz FAOPCYJROAKQRG-UHFFFAOYSA-N 1 2 397.431 2.552 50 0 GFAALO O=c1[nH]c(SCc2ccc(Br)cc2)ncc1C[NH+]1CCOCC1 ZINC000035245442 570277103 /nfs/dbraw/zinc/27/71/03/570277103.db2.gz UUUPEKFWUWGPSS-UHFFFAOYSA-N 1 2 396.310 2.657 50 0 GFAALO COC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000002890130 570316872 /nfs/dbraw/zinc/31/68/72/570316872.db2.gz FCWDBMFIAFLEGD-CQSZACIVSA-N 1 2 385.247 2.510 50 0 GFAALO Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc1C ZINC000022805056 570329242 /nfs/dbraw/zinc/32/92/42/570329242.db2.gz WAZNPAMKQJTYSX-UHFFFAOYSA-N 1 2 379.504 2.995 50 0 GFAALO COCCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2cccnc2)CC1 ZINC000034906748 570339405 /nfs/dbraw/zinc/33/94/05/570339405.db2.gz OLZWWTHDAACVTA-UHFFFAOYSA-N 1 2 393.491 2.611 50 0 GFAALO Cc1nc(N2CCC(Nc3[nH+]cnc4c3cnn4C)CC2)cc(C(F)(F)F)n1 ZINC000575617158 570359648 /nfs/dbraw/zinc/35/96/48/570359648.db2.gz PWRSDPKVOGXQPH-UHFFFAOYSA-N 1 2 392.389 2.561 50 0 GFAALO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)c1C ZINC000023389446 570360216 /nfs/dbraw/zinc/36/02/16/570360216.db2.gz WQQLEAVVOBVKHY-KRWDZBQOSA-N 1 2 381.476 2.720 50 0 GFAALO Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)c1C ZINC000023389446 570360218 /nfs/dbraw/zinc/36/02/18/570360218.db2.gz WQQLEAVVOBVKHY-KRWDZBQOSA-N 1 2 381.476 2.720 50 0 GFAALO O=C(c1ccccc1Br)N1CCCSC[C@H]1C[NH+]1CCOCC1 ZINC000090609059 570384976 /nfs/dbraw/zinc/38/49/76/570384976.db2.gz KZYVGSBYFNBLQU-CQSZACIVSA-N 1 2 399.354 2.729 50 0 GFAALO O=C(NCC[NH+]1CCOCC1)c1ccc(-c2nc(-c3cccc(F)c3)no2)cc1 ZINC000033279020 570404695 /nfs/dbraw/zinc/40/46/95/570404695.db2.gz YMOOBJIEEKWLCH-UHFFFAOYSA-N 1 2 396.422 2.605 50 0 GFAALO CC(C)[C@H]1[NH2+]C2(CCN(C(=O)C3CCC3)CC2)N(Cc2ccc(F)cc2)C1=O ZINC000036014132 570511074 /nfs/dbraw/zinc/51/10/74/570511074.db2.gz MKJVBAWGTARFRD-LJQANCHMSA-N 1 2 387.499 2.901 50 0 GFAALO C[NH+]1CCN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3Cl)nc2)CC1 ZINC000034863289 570545194 /nfs/dbraw/zinc/54/51/94/570545194.db2.gz YDUVZABYWQLNMB-UHFFFAOYSA-N 1 2 385.848 2.603 50 0 GFAALO COc1ccc(CCNC(=O)[C@H](C)[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000225482939 570578445 /nfs/dbraw/zinc/57/84/45/570578445.db2.gz RTZSKLJJXGQHRA-HNNXBMFYSA-N 1 2 378.476 2.718 50 0 GFAALO CC(C)c1cc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)Cc3ccccc3)C2)[nH]n1 ZINC000011753579 570581128 /nfs/dbraw/zinc/58/11/28/570581128.db2.gz GEOPVVVJQALHIP-GOSISDBHSA-N 1 2 390.553 2.865 50 0 GFAALO CC(C)c1cc(C[N@H+]2CCC[C@H](CNS(=O)(=O)Cc3ccccc3)C2)[nH]n1 ZINC000011753579 570581132 /nfs/dbraw/zinc/58/11/32/570581132.db2.gz GEOPVVVJQALHIP-GOSISDBHSA-N 1 2 390.553 2.865 50 0 GFAALO COc1ccccc1C(=O)N1CC[NH+]([C@@H](C(=O)NC(C)C)C2CCCC2)CC1 ZINC000036251914 570586355 /nfs/dbraw/zinc/58/63/55/570586355.db2.gz NNIVUEZBKPKMJA-HXUWFJFHSA-N 1 2 387.524 2.536 50 0 GFAALO COc1cccc(CN2CC[N@H+](Cc3ccccc3F)[C@H](CCO)C2)c1OC ZINC000039394587 570590923 /nfs/dbraw/zinc/59/09/23/570590923.db2.gz AGZFTFLZHJEWAH-LJQANCHMSA-N 1 2 388.483 2.912 50 0 GFAALO COc1cccc(CN2CC[N@@H+](Cc3ccccc3F)[C@H](CCO)C2)c1OC ZINC000039394587 570590927 /nfs/dbraw/zinc/59/09/27/570590927.db2.gz AGZFTFLZHJEWAH-LJQANCHMSA-N 1 2 388.483 2.912 50 0 GFAALO COc1cccc(C[N@@H+]2CCN(Cc3ccccc3F)[C@H](CCO)C2)c1OC ZINC000039394587 570590928 /nfs/dbraw/zinc/59/09/28/570590928.db2.gz AGZFTFLZHJEWAH-LJQANCHMSA-N 1 2 388.483 2.912 50 0 GFAALO COc1cccc(C[N@H+]2CCN(Cc3ccccc3F)[C@H](CCO)C2)c1OC ZINC000039394587 570590931 /nfs/dbraw/zinc/59/09/31/570590931.db2.gz AGZFTFLZHJEWAH-LJQANCHMSA-N 1 2 388.483 2.912 50 0 GFAALO O=C(NCC[NH+]1CCOCC1)c1cncc(-c2ccccc2Br)c1 ZINC000036349251 570631081 /nfs/dbraw/zinc/63/10/81/570631081.db2.gz QJMKXPXZLLFKOR-UHFFFAOYSA-N 1 2 390.281 2.573 50 0 GFAALO CSc1ccc(CN(C)C(=O)C[NH+]2CCN(c3nccs3)CC2)cc1 ZINC000036408805 570692115 /nfs/dbraw/zinc/69/21/15/570692115.db2.gz PVAKOYGOIKCEGV-UHFFFAOYSA-N 1 2 376.551 2.646 50 0 GFAALO C[C@@H](O)CNc1[nH+]c2ccccc2n1CC(=O)NCCc1ccc(Cl)cc1 ZINC000012630943 570693185 /nfs/dbraw/zinc/69/31/85/570693185.db2.gz UUVSKATVPJPJFX-CQSZACIVSA-N 1 2 386.883 2.841 50 0 GFAALO COc1ccc([C@@H](CNC(=S)NCc2ccccc2)[NH+]2CCOCC2)cc1 ZINC000032639077 570712476 /nfs/dbraw/zinc/71/24/76/570712476.db2.gz CGHDJUTXSOJWIU-HXUWFJFHSA-N 1 2 385.533 2.733 50 0 GFAALO CC(C)[C@@H](C(=O)NCc1noc(-c2cccs2)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058292456 570724978 /nfs/dbraw/zinc/72/49/78/570724978.db2.gz RJTRHIBYZOGFNI-ZENOOKHLSA-N 1 2 378.498 2.548 50 0 GFAALO CC(C)[C@@H](C(=O)NCc1noc(-c2cccs2)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058292456 570724980 /nfs/dbraw/zinc/72/49/80/570724980.db2.gz RJTRHIBYZOGFNI-ZENOOKHLSA-N 1 2 378.498 2.548 50 0 GFAALO C[C@@H](C(=O)NC(=O)NC1CCCC1)[N@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000013001269 570741152 /nfs/dbraw/zinc/74/11/52/570741152.db2.gz TXIXVPFMVBWXQO-HNNXBMFYSA-N 1 2 396.491 2.867 50 0 GFAALO C[C@@H](C(=O)NC(=O)NC1CCCC1)[N@@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000013001269 570741154 /nfs/dbraw/zinc/74/11/54/570741154.db2.gz TXIXVPFMVBWXQO-HNNXBMFYSA-N 1 2 396.491 2.867 50 0 GFAALO COC(=O)CN1C(=O)S/C(=C\c2cccn2-c2ccc([NH+](C)C)cc2)C1=O ZINC000001018645 570746298 /nfs/dbraw/zinc/74/62/98/570746298.db2.gz PMVZALMGLUNBHV-WJDWOHSUSA-N 1 2 385.445 2.753 50 0 GFAALO COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000007050254 570764842 /nfs/dbraw/zinc/76/48/42/570764842.db2.gz JMXXAKNVHGREHF-CQSZACIVSA-N 1 2 387.461 2.929 50 0 GFAALO Cc1ccccc1-n1cc(C2=CC[N@H+](CC(=O)Nc3ccn(C)n3)CC2)cn1 ZINC000065435552 570768616 /nfs/dbraw/zinc/76/86/16/570768616.db2.gz NYIDSRZUJLKXJG-UHFFFAOYSA-N 1 2 376.464 2.642 50 0 GFAALO Cc1ccccc1-n1cc(C2=CC[N@@H+](CC(=O)Nc3ccn(C)n3)CC2)cn1 ZINC000065435552 570768622 /nfs/dbraw/zinc/76/86/22/570768622.db2.gz NYIDSRZUJLKXJG-UHFFFAOYSA-N 1 2 376.464 2.642 50 0 GFAALO CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)c1cnc2ccccn21 ZINC000067878629 570795884 /nfs/dbraw/zinc/79/58/84/570795884.db2.gz UDIFTPBAPBUJHM-UHFFFAOYSA-N 1 2 386.459 2.733 50 0 GFAALO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2cc(=O)[nH]c3ccccc32)cc1 ZINC000032781552 570809234 /nfs/dbraw/zinc/80/92/34/570809234.db2.gz JZIPNEKFKBHTSP-NRFANRHFSA-N 1 2 391.471 2.640 50 0 GFAALO Cn1cc[nH+]c1[C@H](NC(=O)NCc1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000032802324 570821273 /nfs/dbraw/zinc/82/12/73/570821273.db2.gz TXNRNHWFNGVEJF-LJQANCHMSA-N 1 2 396.422 2.919 50 0 GFAALO CCCNC(=O)C[N@H+](C)CC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000011230137 570827375 /nfs/dbraw/zinc/82/73/75/570827375.db2.gz HQAHTOVZGAAERB-IBGZPJMESA-N 1 2 391.562 2.742 50 0 GFAALO CCCNC(=O)C[N@@H+](C)CC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000011230137 570827377 /nfs/dbraw/zinc/82/73/77/570827377.db2.gz HQAHTOVZGAAERB-IBGZPJMESA-N 1 2 391.562 2.742 50 0 GFAALO Cc1cccn2c(C[N@@H+]3CCc4n[nH]cc4C3)c(C(=O)N3CCCCC3)nc12 ZINC000071524651 570839642 /nfs/dbraw/zinc/83/96/42/570839642.db2.gz ICBOMEUAUYCGEQ-UHFFFAOYSA-N 1 2 378.480 2.550 50 0 GFAALO Cc1cccn2c(C[N@H+]3CCc4n[nH]cc4C3)c(C(=O)N3CCCCC3)nc12 ZINC000071524651 570839643 /nfs/dbraw/zinc/83/96/43/570839643.db2.gz ICBOMEUAUYCGEQ-UHFFFAOYSA-N 1 2 378.480 2.550 50 0 GFAALO Cn1cc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000071765106 570851425 /nfs/dbraw/zinc/85/14/25/570851425.db2.gz HKBVTAMQZKLYMW-CQSZACIVSA-N 1 2 394.397 2.972 50 0 GFAALO Cn1cc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000071765106 570851428 /nfs/dbraw/zinc/85/14/28/570851428.db2.gz HKBVTAMQZKLYMW-CQSZACIVSA-N 1 2 394.397 2.972 50 0 GFAALO c1c(C[NH+]2CCC(c3nnc4n3CCCCC4)CC2)nnn1-c1ccccc1 ZINC000072173730 570877572 /nfs/dbraw/zinc/87/75/72/570877572.db2.gz PKNQBJSVZGCCJN-UHFFFAOYSA-N 1 2 377.496 2.965 50 0 GFAALO COc1cccc(C(=O)N2CC[NH+](Cc3ccc(Cn4cccn4)cc3)CC2)c1 ZINC000072170017 570877594 /nfs/dbraw/zinc/87/75/94/570877594.db2.gz QGTNHUFHHKQELO-UHFFFAOYSA-N 1 2 390.487 2.898 50 0 GFAALO CCc1ccc(S(=O)(=O)N2CCN(c3[nH+]c4ccccc4n3C)CC2)s1 ZINC000044443743 570880059 /nfs/dbraw/zinc/88/00/59/570880059.db2.gz WSWMJHGFVXLNPO-UHFFFAOYSA-N 1 2 390.534 2.708 50 0 GFAALO COc1cc(C)c(C[NH+]2CCN(C(=O)Cc3c(C)noc3C)CC2)cc1OC ZINC000012600640 570886698 /nfs/dbraw/zinc/88/66/98/570886698.db2.gz GGXJDWUWYIOCLT-UHFFFAOYSA-N 1 2 387.480 2.504 50 0 GFAALO O=C(NCc1ccc(N2CCCC2)nc1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000023081091 570903060 /nfs/dbraw/zinc/90/30/60/570903060.db2.gz RQGYFZFPHTYGJU-UHFFFAOYSA-N 1 2 380.496 2.676 50 0 GFAALO O=C([C@@H]1COc2ccccc2O1)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000170654084 570999045 /nfs/dbraw/zinc/99/90/45/570999045.db2.gz BGKYDJGRAYTHGG-INIZCTEOSA-N 1 2 393.365 2.589 50 0 GFAALO Cc1cc(N2CCN(CC(=O)Nc3c(F)cccc3F)CC2)nc(C(C)C)[nH+]1 ZINC000012769645 571022274 /nfs/dbraw/zinc/02/22/74/571022274.db2.gz GWIJEOPRHMUDRQ-UHFFFAOYSA-N 1 2 389.450 2.947 50 0 GFAALO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cnnc3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245671488 529796017 /nfs/dbraw/zinc/79/60/17/529796017.db2.gz CXFIBYZPQSXPIB-RTBURBONSA-N 1 2 383.402 2.721 50 0 GFAALO C[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cnnc3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245671488 529796018 /nfs/dbraw/zinc/79/60/18/529796018.db2.gz CXFIBYZPQSXPIB-RTBURBONSA-N 1 2 383.402 2.721 50 0 GFAALO C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)o1 ZINC000105884229 206262273 /nfs/dbraw/zinc/26/22/73/206262273.db2.gz OPNBHGFMVUMHFF-ALSHPHNGSA-N 1 2 399.535 2.961 50 0 GFAALO COc1cccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccc(Cl)cc4)CC3)C2=O)c1 ZINC000000705120 206318029 /nfs/dbraw/zinc/31/80/29/206318029.db2.gz SGLQGOVQKOROSI-IBGZPJMESA-N 1 2 399.878 2.803 50 0 GFAALO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000014118857 207010669 /nfs/dbraw/zinc/01/06/69/207010669.db2.gz ZZXZIHURBZAEOY-UHFFFAOYSA-N 1 2 376.888 2.675 50 0 GFAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3ccc(OC)c(F)c3)CC2)c1 ZINC000014118938 207011100 /nfs/dbraw/zinc/01/11/00/207011100.db2.gz GKZQYRYSLSQWRG-UHFFFAOYSA-N 1 2 388.439 2.810 50 0 GFAALO CC[N@H+](CCCNC(=O)[C@@H](C)N1c2cc(C)nn2CCC1=O)c1cccc(C)c1 ZINC000015728591 207057325 /nfs/dbraw/zinc/05/73/25/207057325.db2.gz NSKXNAIVXJYDFU-GOSISDBHSA-N 1 2 397.523 2.658 50 0 GFAALO CC[N@@H+](CCCNC(=O)[C@@H](C)N1c2cc(C)nn2CCC1=O)c1cccc(C)c1 ZINC000015728591 207057329 /nfs/dbraw/zinc/05/73/29/207057329.db2.gz NSKXNAIVXJYDFU-GOSISDBHSA-N 1 2 397.523 2.658 50 0 GFAALO O=C(C[NH+]1CCN(c2ccccc2F)CC1)NCCc1c[nH]c2ccccc12 ZINC000015377466 207051569 /nfs/dbraw/zinc/05/15/69/207051569.db2.gz FROCVIGPUHJKNJ-UHFFFAOYSA-N 1 2 380.467 2.788 50 0 GFAALO CCOC(=O)c1ccc(N2C(=O)C[C@H]([N@@H+]3CCc4ccccc4C3)C2=O)cc1 ZINC000018137612 207093897 /nfs/dbraw/zinc/09/38/97/207093897.db2.gz JGALKUZYIZHNOB-IBGZPJMESA-N 1 2 378.428 2.554 50 0 GFAALO CCOC(=O)c1ccc(N2C(=O)C[C@H]([N@H+]3CCc4ccccc4C3)C2=O)cc1 ZINC000018137612 207093902 /nfs/dbraw/zinc/09/39/02/207093902.db2.gz JGALKUZYIZHNOB-IBGZPJMESA-N 1 2 378.428 2.554 50 0 GFAALO COc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)c2ccoc2)CC1 ZINC000019112505 207102700 /nfs/dbraw/zinc/10/27/00/207102700.db2.gz ZWPUSBCXCLBAQV-UHFFFAOYSA-N 1 2 392.459 2.940 50 0 GFAALO Cc1nc2sccn2c1C[N@@H+]1CCN(Cc2ccc(F)cc2)[C@@H](CCO)C1 ZINC000019839316 207165745 /nfs/dbraw/zinc/16/57/45/207165745.db2.gz AEJOAUNVBHAMBE-SFHVURJKSA-N 1 2 388.512 2.912 50 0 GFAALO Cc1nc2sccn2c1C[N@H+]1CCN(Cc2ccc(F)cc2)[C@@H](CCO)C1 ZINC000019839316 207165748 /nfs/dbraw/zinc/16/57/48/207165748.db2.gz AEJOAUNVBHAMBE-SFHVURJKSA-N 1 2 388.512 2.912 50 0 GFAALO Cc1c(Br)c(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)nn1C ZINC000019850408 207165813 /nfs/dbraw/zinc/16/58/13/207165813.db2.gz FYCFPMNEBNWCOQ-UHFFFAOYSA-N 1 2 393.285 2.576 50 0 GFAALO COc1ccccc1C(=O)NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000020146370 207180780 /nfs/dbraw/zinc/18/07/80/207180780.db2.gz UANGOOVNIHDNOP-UHFFFAOYSA-N 1 2 385.489 2.654 50 0 GFAALO CC(=O)Nc1ccc(CN2CC[N@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)cc1 ZINC000020321272 207187694 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CCc1ccc(CN2CCc3c(C(=O)N4CC[NH+](C)CC4)csc3C2)nc1 ZINC000426470883 529643689 /nfs/dbraw/zinc/64/36/89/529643689.db2.gz SLTKOWQBXJPZNQ-UHFFFAOYSA-N 1 2 384.549 2.651 50 0 GFAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCc4nnc(C)[nH]4)csc3C2)nc1 ZINC000426552137 529645096 /nfs/dbraw/zinc/64/50/96/529645096.db2.gz VQQCTNDYUCDIOH-UHFFFAOYSA-N 1 2 396.520 2.620 50 0 GFAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NCc4nnc(C)[nH]4)csc3C2)nc1 ZINC000426552137 529645098 /nfs/dbraw/zinc/64/50/98/529645098.db2.gz VQQCTNDYUCDIOH-UHFFFAOYSA-N 1 2 396.520 2.620 50 0 GFAALO Oc1ccc(-c2cn3nc(N4CCN(c5cccc[nH+]5)CC4)sc3n2)cc1 ZINC000001414376 209115437 /nfs/dbraw/zinc/11/54/37/209115437.db2.gz XMIYHXUWJDGPST-UHFFFAOYSA-N 1 2 378.461 2.885 50 0 GFAALO Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCSCC1 ZINC000253403197 206283638 /nfs/dbraw/zinc/28/36/38/206283638.db2.gz PMVTYVYBLPJUDQ-HNNXBMFYSA-N 1 2 384.498 2.796 50 0 GFAALO O=C1C[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000000712635 206319356 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GFAALO S=C(NCC[NH+]1CCN(C(=S)Nc2ccccc2)CC1)Nc1ccccc1 ZINC000019596484 207143096 /nfs/dbraw/zinc/14/30/96/207143096.db2.gz KHLVQESTAFZING-UHFFFAOYSA-N 1 2 399.589 2.988 50 0 GFAALO CCOC(=O)C1C(C[NH+]2CCSCC2)=NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000020051508 207176278 /nfs/dbraw/zinc/17/62/78/207176278.db2.gz NLWWFQUWNWSYIG-SFHVURJKSA-N 1 2 389.521 2.523 50 0 GFAALO Brc1ccc2[nH]c3c(ncnc3NCC[NH+]3CCOCC3)c2c1 ZINC000020171040 207183006 /nfs/dbraw/zinc/18/30/06/207183006.db2.gz XLMPYVQBKFXYFQ-UHFFFAOYSA-N 1 2 376.258 2.618 50 0 GFAALO COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH2+]Cc2n[nH]c(=O)[nH]2)cc1 ZINC000020206617 207183322 /nfs/dbraw/zinc/18/33/22/207183322.db2.gz JXQGCZMFNPHQRA-UHFFFAOYSA-N 1 2 394.410 2.801 50 0 GFAALO COc1ccc(C(=O)[C@H](O)[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)cc1OC ZINC000020390211 207189360 /nfs/dbraw/zinc/18/93/60/207189360.db2.gz ZTYFVEASKFFIJK-IFMALSPDSA-N 1 2 385.460 2.629 50 0 GFAALO c1ccc([C@H]2NC3=[NH+]CN(Cc4cccnc4)CN3c3nc4ccccc4n32)nc1 ZINC000020567800 207202897 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GFAALO O=C(C[NH+]1CCN(Cc2cn3ccccc3n2)CC1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000025063696 207300975 /nfs/dbraw/zinc/30/09/75/207300975.db2.gz IBLKCFZEDACGJO-CTNGQTDRSA-N 1 2 395.551 2.633 50 0 GFAALO O=C(c1cc(F)c(F)c(F)c1F)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000025515374 207304434 /nfs/dbraw/zinc/30/44/34/207304434.db2.gz ZJIXTAYCYNGZSL-UHFFFAOYSA-N 1 2 396.340 2.930 50 0 GFAALO C[N@H+](CCC(=O)Nc1ccnn1C1CCCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000028845541 207349783 /nfs/dbraw/zinc/34/97/83/207349783.db2.gz ZACWJAPXYDOLIA-UHFFFAOYSA-N 1 2 394.479 2.695 50 0 GFAALO C[N@@H+](CCC(=O)Nc1ccnn1C1CCCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000028845541 207349787 /nfs/dbraw/zinc/34/97/87/207349787.db2.gz ZACWJAPXYDOLIA-UHFFFAOYSA-N 1 2 394.479 2.695 50 0 GFAALO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000029361159 207360178 /nfs/dbraw/zinc/36/01/78/207360178.db2.gz DZAWFKNFSCULBJ-SFHVURJKSA-N 1 2 379.504 2.999 50 0 GFAALO CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000030541924 207372591 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GFAALO O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000089768435 208110195 /nfs/dbraw/zinc/11/01/95/208110195.db2.gz GQJQXQCPHMIQSH-LSDHHAIUSA-N 1 2 393.336 2.603 50 0 GFAALO CCc1[nH+]c(C)ccc1OCC(=O)N1CC[C@@H](Cc2cccc(C(N)=O)c2)C1 ZINC000091426117 208117277 /nfs/dbraw/zinc/11/72/77/208117277.db2.gz VBFSXFNBGQAYIT-KRWDZBQOSA-N 1 2 381.476 2.521 50 0 GFAALO COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)c(C)c1 ZINC000095506376 208207577 /nfs/dbraw/zinc/20/75/77/208207577.db2.gz RXJAOIKYVSJDCL-MRXNPFEDSA-N 1 2 384.480 2.927 50 0 GFAALO O=C(c1ccc2n[nH]nc2c1)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000095508209 208209146 /nfs/dbraw/zinc/20/91/46/208209146.db2.gz KSXPXZJEUIVWRE-UHFFFAOYSA-N 1 2 387.447 2.618 50 0 GFAALO Cc1ccc(C)c(C(=O)N2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)c1 ZINC000095390418 208176146 /nfs/dbraw/zinc/17/61/46/208176146.db2.gz DMFJNMGWELDHAU-QGZVFWFLSA-N 1 2 378.480 2.697 50 0 GFAALO C[N@@H+]1CCO[C@H]([C@H](NC2CN(C(=O)OC(C)(C)C)C2)c2ccc(Cl)cc2)C1 ZINC000095454573 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O=C1O[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)C[C@@H]2N1Cc1ccccn1 ZINC000067804956 570792087 /nfs/dbraw/zinc/79/20/87/570792087.db2.gz NWOAKSPVHSWVLE-RBUKOAKNSA-N 1 2 375.432 2.677 50 0 GFAALO Cc1cc(C)n(-c2cc(NCCNC(=O)Cc3c[nH]c4ccccc34)[nH+]cn2)n1 ZINC000036705480 570793087 /nfs/dbraw/zinc/79/30/87/570793087.db2.gz AYSHJIXAVBYPBQ-UHFFFAOYSA-N 1 2 389.463 2.531 50 0 GFAALO C[C@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012520776 570827457 /nfs/dbraw/zinc/82/74/57/570827457.db2.gz LXBBZEXCYMOCMI-HNNXBMFYSA-N 1 2 383.473 2.908 50 0 GFAALO O=C(C[NH+]1CCN(c2ccccn2)CC1)NCCc1ccc(Cl)cc1Cl ZINC000007449496 570844858 /nfs/dbraw/zinc/84/48/58/570844858.db2.gz MKYOWOOGYRYWHC-UHFFFAOYSA-N 1 2 393.318 2.869 50 0 GFAALO COc1cccc(C[C@H]2CN(C(=O)Cc3ccc4[nH]c(C)[nH+]c4c3)CCO2)c1 ZINC000071754314 570848194 /nfs/dbraw/zinc/84/81/94/570848194.db2.gz TZASQKUCGZEYLX-IBGZPJMESA-N 1 2 379.460 2.893 50 0 GFAALO COc1cccc(C[C@H]2CN(C(=O)Cc3ccc4[nH+]c(C)[nH]c4c3)CCO2)c1 ZINC000071754314 570848196 /nfs/dbraw/zinc/84/81/96/570848196.db2.gz TZASQKUCGZEYLX-IBGZPJMESA-N 1 2 379.460 2.893 50 0 GFAALO O=C(c1ncccc1O)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071763459 570850953 /nfs/dbraw/zinc/85/09/53/570850953.db2.gz RBFSMFFBUSATNB-JSNMRZPZSA-N 1 2 385.414 2.768 50 0 GFAALO Cc1cc(N2C(=O)C[C@@H]([NH+]3CCC(c4nc5ccccc5o4)CC3)C2=O)no1 ZINC000004718029 570856673 /nfs/dbraw/zinc/85/66/73/570856673.db2.gz OYUUDAFCLPJLGL-OAHLLOKOSA-N 1 2 380.404 2.636 50 0 GFAALO Cc1cccc(C(=O)NCC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)c1 ZINC000012559608 570861177 /nfs/dbraw/zinc/86/11/77/570861177.db2.gz YSOJFUUHQORVLY-IBGZPJMESA-N 1 2 380.423 2.503 50 0 GFAALO O=C([C@H](Cc1c[nH+]c[nH]1)n1cccc1)N1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000072143057 570870084 /nfs/dbraw/zinc/87/00/84/570870084.db2.gz JEBDKZMSXHVILC-IBGZPJMESA-N 1 2 389.459 2.508 50 0 GFAALO O=C([C@H](Cc1c[nH]c[nH+]1)n1cccc1)N1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000072143057 570870085 /nfs/dbraw/zinc/87/00/85/570870085.db2.gz JEBDKZMSXHVILC-IBGZPJMESA-N 1 2 389.459 2.508 50 0 GFAALO COc1ccc(CNC(=O)N2CCN(c3[nH+]c4ccccc4n3C)CC2)cc1 ZINC000044443773 570879938 /nfs/dbraw/zinc/87/99/38/570879938.db2.gz KSAPNSTZTJEOOV-UHFFFAOYSA-N 1 2 379.464 2.614 50 0 GFAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000042533300 570891876 /nfs/dbraw/zinc/89/18/76/570891876.db2.gz MIQCBOOZRYOSFO-FXAWDEMLSA-N 1 2 376.460 2.949 50 0 GFAALO CC[NH+]1CCN([C@@H](c2cccc(OC)c2)C2Sc3nc(C)nn3C2=O)CC1 ZINC000022458077 570896499 /nfs/dbraw/zinc/89/64/99/570896499.db2.gz LGQWGYQIGWJXSZ-INIZCTEOSA-N 1 2 387.509 2.540 50 0 GFAALO COC(=O)C1CC[NH+]([C@H](c2ccccc2)C2Sc3nc(C)nn3C2=O)CC1 ZINC000023156776 570920759 /nfs/dbraw/zinc/92/07/59/570920759.db2.gz UBPMVMVJBCGFMQ-OAHLLOKOSA-N 1 2 386.477 2.779 50 0 GFAALO O=C([C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1)N1CCC(n2cc[nH+]c2)CC1 ZINC000108179053 570985136 /nfs/dbraw/zinc/98/51/36/570985136.db2.gz VECUVATUDUFWTH-NEWSRXKRSA-N 1 2 380.496 2.674 50 0 GFAALO O=C(C[NH+]1CCC(C(=O)NCc2ccccc2)CC1)Nc1c(F)cccc1F ZINC000012768141 571019184 /nfs/dbraw/zinc/01/91/84/571019184.db2.gz IJEFOQPJPLGQKM-UHFFFAOYSA-N 1 2 387.430 2.932 50 0 GFAALO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2n[nH]c(-c3ccc(Cl)cc3)n2)CC1 ZINC000021746134 654529694 /nfs/dbraw/zinc/52/96/94/654529694.db2.gz XMIGXCHQKIRHLW-GFCCVEGCSA-N 1 2 379.917 2.770 50 0 GFAALO CCOC(=O)N1CC[NH+]([C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)CC1 ZINC000055195773 209111918 /nfs/dbraw/zinc/11/19/18/209111918.db2.gz RSJKHGFHEDZBCR-KRWDZBQOSA-N 1 2 379.888 2.719 50 0 GFAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2cccc3nonc32)C[C@H]1CCO ZINC000036385803 206263742 /nfs/dbraw/zinc/26/37/42/206263742.db2.gz XXLBMFOSCVWZAC-LJQANCHMSA-N 1 2 396.491 2.690 50 0 GFAALO CCOc1ccccc1C[N@H+]1CCN(Cc2cccc3nonc32)C[C@H]1CCO ZINC000036385803 206263745 /nfs/dbraw/zinc/26/37/45/206263745.db2.gz XXLBMFOSCVWZAC-LJQANCHMSA-N 1 2 396.491 2.690 50 0 GFAALO O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@H](c1ccco1)[NH+]1CCSCC1 ZINC000253402805 206283532 /nfs/dbraw/zinc/28/35/32/206283532.db2.gz OTURHGSBSIFMOE-MQDFFIGUSA-N 1 2 386.473 2.928 50 0 GFAALO O=S(=O)(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000159286437 206305026 /nfs/dbraw/zinc/30/50/26/206305026.db2.gz DMDYARGQWLOXTO-GFCCVEGCSA-N 1 2 387.383 2.537 50 0 GFAALO NC(=O)[C@H]1CCC[N@H+](Cc2nc(C(c3ccccc3)c3ccccc3)no2)C1 ZINC000011753969 206831474 /nfs/dbraw/zinc/83/14/74/206831474.db2.gz LYDLEXGWWZYMNU-SFHVURJKSA-N 1 2 376.460 2.947 50 0 GFAALO NC(=O)[C@H]1CCC[N@@H+](Cc2nc(C(c3ccccc3)c3ccccc3)no2)C1 ZINC000011753969 206831478 /nfs/dbraw/zinc/83/14/78/206831478.db2.gz LYDLEXGWWZYMNU-SFHVURJKSA-N 1 2 376.460 2.947 50 0 GFAALO CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000012525516 206907018 /nfs/dbraw/zinc/90/70/18/206907018.db2.gz PMQWXYWVPICIAK-QGZVFWFLSA-N 1 2 390.509 2.515 50 0 GFAALO O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1F ZINC000014948648 207033599 /nfs/dbraw/zinc/03/35/99/207033599.db2.gz YRRSKZWEXDKEGQ-SFHVURJKSA-N 1 2 384.390 2.544 50 0 GFAALO O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1F ZINC000014948648 207033601 /nfs/dbraw/zinc/03/36/01/207033601.db2.gz YRRSKZWEXDKEGQ-SFHVURJKSA-N 1 2 384.390 2.544 50 0 GFAALO Cc1[nH+]c2ccccc2n1CCNC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1 ZINC000015135949 207048363 /nfs/dbraw/zinc/04/83/63/207048363.db2.gz ZIGJVRXOFTUOOU-KRWDZBQOSA-N 1 2 399.882 2.914 50 0 GFAALO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000015370040 207051919 /nfs/dbraw/zinc/05/19/19/207051919.db2.gz SJCAGGOUXSOVBJ-CQSZACIVSA-N 1 2 381.432 2.611 50 0 GFAALO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000015370040 207051924 /nfs/dbraw/zinc/05/19/24/207051924.db2.gz SJCAGGOUXSOVBJ-CQSZACIVSA-N 1 2 381.432 2.611 50 0 GFAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)COc3ccc(C)cc3)CC2)c1 ZINC000019210997 207105802 /nfs/dbraw/zinc/10/58/02/207105802.db2.gz TVPBWLBPCQFWSK-UHFFFAOYSA-N 1 2 384.476 2.735 50 0 GFAALO CC[NH+]1CCN(c2ncc3c(n2)C[C@@H](c2ccc(OC)cc2OC)CC3=O)CC1 ZINC000020101825 207178194 /nfs/dbraw/zinc/17/81/94/207178194.db2.gz TVFKRYISKHEBPF-OAHLLOKOSA-N 1 2 396.491 2.548 50 0 GFAALO CC1CCC(NC(=O)[C@@H]2c3ccccc3C(=O)N2CCC[NH+]2CCOCC2)CC1 ZINC000020152487 207179988 /nfs/dbraw/zinc/17/99/88/207179988.db2.gz ZHTMPVCVTLYPJH-NGICGMGXSA-N 1 2 399.535 2.601 50 0 GFAALO COc1ccc2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)[nH]c2c1 ZINC000020565902 207203154 /nfs/dbraw/zinc/20/31/54/207203154.db2.gz QQCSDPQIXIJCHZ-UHFFFAOYSA-N 1 2 393.443 2.863 50 0 GFAALO O=C(c1ccc2cccc(O)c2n1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000021717198 207235211 /nfs/dbraw/zinc/23/52/11/207235211.db2.gz UPWLCMKTORBHDO-UHFFFAOYSA-N 1 2 391.427 2.627 50 0 GFAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1ccc(Cl)cc1 ZINC000021840739 207239822 /nfs/dbraw/zinc/23/98/22/207239822.db2.gz QFQNHBRQJIKBOU-QGZVFWFLSA-N 1 2 397.866 2.761 50 0 GFAALO C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000022287260 207250445 /nfs/dbraw/zinc/25/04/45/207250445.db2.gz HPUJSSJSFWYASP-BETUJISGSA-N 1 2 394.459 2.872 50 0 GFAALO C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000022287260 207250447 /nfs/dbraw/zinc/25/04/47/207250447.db2.gz HPUJSSJSFWYASP-BETUJISGSA-N 1 2 394.459 2.872 50 0 GFAALO O=C(CN1CC[NH+](Cc2cccc(Cl)c2)CC1)Nc1cccc2nonc21 ZINC000022752172 207260156 /nfs/dbraw/zinc/26/01/56/207260156.db2.gz JCBRAXWHENVNKX-UHFFFAOYSA-N 1 2 385.855 2.633 50 0 GFAALO Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000022786461 207261966 /nfs/dbraw/zinc/26/19/66/207261966.db2.gz DOTXJHZCSCDTMZ-SFHVURJKSA-N 1 2 395.503 2.546 50 0 GFAALO Cc1ccc(CNC(=O)[C@H](C)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000022786461 207261971 /nfs/dbraw/zinc/26/19/71/207261971.db2.gz DOTXJHZCSCDTMZ-SFHVURJKSA-N 1 2 395.503 2.546 50 0 GFAALO Cc1nc(-n2cccn2)cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)[nH+]1 ZINC000023144295 207270382 /nfs/dbraw/zinc/27/03/82/207270382.db2.gz OBSWTIUOJPSJNE-UHFFFAOYSA-N 1 2 382.855 2.587 50 0 GFAALO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000023846208 207283016 /nfs/dbraw/zinc/28/30/16/207283016.db2.gz WTHRJDJGFPIRTG-OAQYLSRUSA-N 1 2 376.460 2.676 50 0 GFAALO O=C(CCc1nc2ccccc2[nH]1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000023745164 207283410 /nfs/dbraw/zinc/28/34/10/207283410.db2.gz MBOZQKLROJRWNR-KRWDZBQOSA-N 1 2 384.505 2.747 50 0 GFAALO O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000023442960 207277796 /nfs/dbraw/zinc/27/77/96/207277796.db2.gz IIFHLDUMNHAPGY-IBGZPJMESA-N 1 2 399.491 2.973 50 0 GFAALO O=C(CSc1nncn1-c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000024747674 207294937 /nfs/dbraw/zinc/29/49/37/207294937.db2.gz HTCAZIUUBVUDGA-UHFFFAOYSA-N 1 2 393.516 2.704 50 0 GFAALO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000026538874 207316792 /nfs/dbraw/zinc/31/67/92/207316792.db2.gz NFCWLUCJZNNIQM-UHFFFAOYSA-N 1 2 398.459 2.781 50 0 GFAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000027332780 207324753 /nfs/dbraw/zinc/32/47/53/207324753.db2.gz JFAGLMXLBMZYGL-HNNXBMFYSA-N 1 2 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GFAALO COc1ccc(/C=C/C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1OC ZINC000013009997 570818637 /nfs/dbraw/zinc/81/86/37/570818637.db2.gz NLGYTUQPFOINOX-WAEYIKQSSA-N 1 2 396.487 2.907 50 0 GFAALO Cn1cc[nH+]c1[C@H](NC(=O)CNC(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC000012507202 570822681 /nfs/dbraw/zinc/82/26/81/570822681.db2.gz WZJQKNPSOZESPI-GOSISDBHSA-N 1 2 388.899 2.976 50 0 GFAALO Cc1cccc(N2CC[NH+](CC(=O)N3c4ccccc4NC(=O)C[C@H]3C)CC2)c1 ZINC000012523601 570830057 /nfs/dbraw/zinc/83/00/57/570830057.db2.gz HDVYCVKATFHYOW-GOSISDBHSA-N 1 2 392.503 2.881 50 0 GFAALO CC[NH+]1CCN(Cc2cc(=O)n3nc(-c4ccc(C(C)(C)C)cc4)[nH]c3n2)CC1 ZINC000101747731 570832216 /nfs/dbraw/zinc/83/22/16/570832216.db2.gz QKJSQMAERPXHJO-UHFFFAOYSA-N 1 2 394.523 2.520 50 0 GFAALO CSc1ccccc1NC(=O)C(=O)NCC1CCN(c2cccc[nH+]2)CC1 ZINC000043941391 570842039 /nfs/dbraw/zinc/84/20/39/570842039.db2.gz LJKNWSMERLPDTG-UHFFFAOYSA-N 1 2 384.505 2.775 50 0 GFAALO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](CC(=O)Nc3cn(C)nc3C)C2)cc1 ZINC000071757006 570848328 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GFAALO CC(C)CNC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000072158442 570875222 /nfs/dbraw/zinc/87/52/22/570875222.db2.gz HXVUEDVBYYBQSM-NRFANRHFSA-N 1 2 395.503 2.942 50 0 GFAALO CCOc1c(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)cccc1OC ZINC000534667056 570920029 /nfs/dbraw/zinc/92/00/29/570920029.db2.gz KVVSFCXRXYAVME-UHFFFAOYSA-N 1 2 384.480 2.516 50 0 GFAALO O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000007725410 571023507 /nfs/dbraw/zinc/02/35/07/571023507.db2.gz KWBASCVYKCPKOY-UHFFFAOYSA-N 1 2 388.427 2.997 50 0 GFAALO C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000043932062 571048010 /nfs/dbraw/zinc/04/80/10/571048010.db2.gz FGUQYFLWKAGCRD-CQSZACIVSA-N 1 2 381.904 2.897 50 0 GFAALO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000095523529 571089234 /nfs/dbraw/zinc/08/92/34/571089234.db2.gz SNZMADDZHDWBAY-ZDUSSCGKSA-N 1 2 375.856 2.793 50 0 GFAALO O=C(NCc1cnn(-c2ccc(F)cc2)c1)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000426578882 231242315 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2.838 50 0 GFAALO CC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc(F)cc1F)CC2 ZINC000014987925 207039249 /nfs/dbraw/zinc/03/92/49/207039249.db2.gz TZMUMDANZYWFNJ-SFHVURJKSA-N 1 2 391.466 2.838 50 0 GFAALO Cc1[nH+]c2ccccc2n1Cc1cc(C(=O)N(C)[C@H](C)c2ccncn2)[nH]n1 ZINC000015064262 207042960 /nfs/dbraw/zinc/04/29/60/207042960.db2.gz XZSOXVASQSYFCS-CYBMUJFWSA-N 1 2 375.436 2.739 50 0 GFAALO CC(C)Cc1cc(C[NH+]2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)n[nH]1 ZINC000015066361 207043201 /nfs/dbraw/zinc/04/32/01/207043201.db2.gz YPUUIGJGJZVHJB-HXUWFJFHSA-N 1 2 376.545 2.896 50 0 GFAALO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)NC(=O)NC1 ZINC000019534442 207131100 /nfs/dbraw/zinc/13/11/00/207131100.db2.gz GLKLRUXLQJMDDH-HNNXBMFYSA-N 1 2 386.477 2.563 50 0 GFAALO CCOC(=O)C1=C(C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)NC(=O)NC1 ZINC000019534442 207131104 /nfs/dbraw/zinc/13/11/04/207131104.db2.gz GLKLRUXLQJMDDH-HNNXBMFYSA-N 1 2 386.477 2.563 50 0 GFAALO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH+]1CCN(c2ccccc2C)CC1 ZINC000019908939 207170121 /nfs/dbraw/zinc/17/01/21/207170121.db2.gz UXIIGSSKBOZZIV-HXUWFJFHSA-N 1 2 398.503 2.768 50 0 GFAALO CC[C@H](Oc1ccccc1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020149561 207180737 /nfs/dbraw/zinc/18/07/37/207180737.db2.gz VBTINEYMQZBFCA-IBGZPJMESA-N 1 2 382.460 2.917 50 0 GFAALO C[C@@H](NC(=O)c1ccc(N(C)C)cc1)[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000020287877 207185757 /nfs/dbraw/zinc/18/57/57/207185757.db2.gz NHVDLBBYJCPHOE-OXQOHEQNSA-N 1 2 386.565 2.921 50 0 GFAALO Cc1ccc(C)n1-c1nc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2s1 ZINC000020624939 207208922 /nfs/dbraw/zinc/20/89/22/207208922.db2.gz VNBBLJVRCVLGCD-UHFFFAOYSA-N 1 2 384.505 2.766 50 0 GFAALO Cc1nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc2c1C(=O)C[C@@H](C)C2 ZINC000020555702 207202918 /nfs/dbraw/zinc/20/29/18/207202918.db2.gz JYMYHICTMJPPED-AWEZNQCLSA-N 1 2 394.475 2.601 50 0 GFAALO COc1ccc(CN2CC[N@H+](Cc3cnc(C)s3)C[C@@H]2CCO)cc1C ZINC000020541370 207203443 /nfs/dbraw/zinc/20/34/43/207203443.db2.gz BNTWVIJGTVSQLZ-SFHVURJKSA-N 1 2 375.538 2.837 50 0 GFAALO COc1ccc(CN2CC[N@@H+](Cc3cnc(C)s3)C[C@@H]2CCO)cc1C ZINC000020541370 207203446 /nfs/dbraw/zinc/20/34/46/207203446.db2.gz BNTWVIJGTVSQLZ-SFHVURJKSA-N 1 2 375.538 2.837 50 0 GFAALO COc1cccc(OCc2cc(C(=O)NCCc3cn4ccccc4[nH+]3)no2)c1 ZINC000020906569 207219187 /nfs/dbraw/zinc/21/91/87/207219187.db2.gz FKSJGTMXDVPIMS-UHFFFAOYSA-N 1 2 392.415 2.882 50 0 GFAALO O=C(CSc1nc2ccccc2o1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000021586261 207232798 /nfs/dbraw/zinc/23/27/98/207232798.db2.gz LHSMGEBOGWZFRD-KRWDZBQOSA-N 1 2 397.500 2.937 50 0 GFAALO O=C(CSc1nc2ccccc2o1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000021586261 207232802 /nfs/dbraw/zinc/23/28/02/207232802.db2.gz LHSMGEBOGWZFRD-KRWDZBQOSA-N 1 2 397.500 2.937 50 0 GFAALO COc1ccc(CC(=O)N2CC[NH+](Cc3noc4ccccc34)CC2)cc1OC ZINC000021664354 207235422 /nfs/dbraw/zinc/23/54/22/207235422.db2.gz OMVCOINPGWVEOS-UHFFFAOYSA-N 1 2 395.459 2.732 50 0 GFAALO Cc1csc(SCC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000022239312 207251196 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COc1cc(Cl)cc(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C(=O)[O-])C2)c1OC(C)C ZINC000096166949 208283517 /nfs/dbraw/zinc/28/35/17/208283517.db2.gz HHTKBXTWDVJRLE-LIRRHRJNSA-N 1 2 382.888 2.584 50 0 GFAALO COc1cc(Cl)cc(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C(=O)[O-])C2)c1OC(C)C ZINC000096166949 208283523 /nfs/dbraw/zinc/28/35/23/208283523.db2.gz HHTKBXTWDVJRLE-LIRRHRJNSA-N 1 2 382.888 2.584 50 0 GFAALO COC(=O)C[C@H](c1cc2ccccc2[nH]c1=O)c1c2[nH]s[nH+]c-2ccc1=O ZINC000096231311 208291592 /nfs/dbraw/zinc/29/15/92/208291592.db2.gz DRCSACWULDEBKO-LLVKDONJSA-N 1 2 381.413 2.933 50 0 GFAALO C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)N2CC[NH+](CC(=O)N3CCCCCC3)CC2)o1 ZINC000096930670 208329379 /nfs/dbraw/zinc/32/93/79/208329379.db2.gz AFXZKKRJLMPAJO-XWJSHFPRSA-N 1 2 399.535 2.963 50 0 GFAALO O=C1C[C@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C(=O)N1c1cccc(F)c1 ZINC000100153570 208372767 /nfs/dbraw/zinc/37/27/67/208372767.db2.gz MRNOCDDCSWDWNS-FERLCFGISA-N 1 2 393.462 2.789 50 0 GFAALO 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CC1CC[NH+](Cc2csc(NC(=O)CNC(=O)c3ccccc3F)n2)CC1 ZINC000012926303 570296933 /nfs/dbraw/zinc/29/69/33/570296933.db2.gz ORIBXLGWCDXWDP-UHFFFAOYSA-N 1 2 390.484 2.883 50 0 GFAALO O=C(NCc1cnn(Cc2ccccc2)c1)C1([NH+]2CCOCC2)CCCCC1 ZINC000216433513 570301752 /nfs/dbraw/zinc/30/17/52/570301752.db2.gz VRPZWIUOOFBWOK-UHFFFAOYSA-N 1 2 382.508 2.583 50 0 GFAALO OCC[C@@H]1CN(Cc2ccc3c(c2)OCCO3)CC[N@@H+]1Cc1ccccc1F ZINC000107100342 570308468 /nfs/dbraw/zinc/30/84/68/570308468.db2.gz FISKBNHOSSBUQU-LJQANCHMSA-N 1 2 386.467 2.666 50 0 GFAALO OCC[C@@H]1CN(Cc2ccc3c(c2)OCCO3)CC[N@H+]1Cc1ccccc1F ZINC000107100342 570308471 /nfs/dbraw/zinc/30/84/71/570308471.db2.gz FISKBNHOSSBUQU-LJQANCHMSA-N 1 2 386.467 2.666 50 0 GFAALO OCC[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)CCN1Cc1ccccc1F ZINC000107100342 570308475 /nfs/dbraw/zinc/30/84/75/570308475.db2.gz FISKBNHOSSBUQU-LJQANCHMSA-N 1 2 386.467 2.666 50 0 GFAALO OCC[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)CCN1Cc1ccccc1F ZINC000107100342 570308476 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570702347 /nfs/dbraw/zinc/70/23/47/570702347.db2.gz BNWDNEMDKCCGEJ-JTQLQIEISA-N 1 2 382.649 2.925 50 0 GFAALO Cc1ncc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)cn1 ZINC000012713060 570703378 /nfs/dbraw/zinc/70/33/78/570703378.db2.gz GAFVVMRQNVXHHN-FQEVSTJZSA-N 1 2 376.464 2.964 50 0 GFAALO Cc1ncc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)cn1 ZINC000012713060 570703380 /nfs/dbraw/zinc/70/33/80/570703380.db2.gz GAFVVMRQNVXHHN-FQEVSTJZSA-N 1 2 376.464 2.964 50 0 GFAALO O=C(NCc1cccnc1N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC=CCC1 ZINC000012717259 570704836 /nfs/dbraw/zinc/70/48/36/570704836.db2.gz RRZPVSRSCVYURK-GOSISDBHSA-N 1 2 377.492 2.776 50 0 GFAALO Cc1noc(C)c1S(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000017521479 570705678 /nfs/dbraw/zinc/70/56/78/570705678.db2.gz ZJVDFYMHYCBADC-CQSZACIVSA-N 1 2 380.857 2.746 50 0 GFAALO COc1cccc(C[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1OC ZINC000013000724 570740667 /nfs/dbraw/zinc/74/06/67/570740667.db2.gz OEYXNOIOTMLPMS-OAHLLOKOSA-N 1 2 397.475 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ZINC000079484574 211157078 /nfs/dbraw/zinc/15/70/78/211157078.db2.gz JJCZJKXPWMKMLT-UHFFFAOYSA-N 1 2 392.503 2.683 50 0 GFAALO CCc1[nH+]c(C)ccc1OCC(=O)N1CCN(Cc2ccc(C)cc2)C(=O)C1 ZINC000077524744 211136844 /nfs/dbraw/zinc/13/68/44/211136844.db2.gz DSBOGQWZGRRFJK-UHFFFAOYSA-N 1 2 381.476 2.511 50 0 GFAALO COc1ccc(NC(=O)NCCNc2cc(N3CCCC3)nc[nH+]2)cc1Cl ZINC000072441675 211119837 /nfs/dbraw/zinc/11/98/37/211119837.db2.gz JKSJYWYIQJPCTJ-UHFFFAOYSA-N 1 2 390.875 2.972 50 0 GFAALO COc1ccc(NC(=O)NCCNc2cc(N3CCCC3)[nH+]cn2)cc1Cl ZINC000072441675 211119840 /nfs/dbraw/zinc/11/98/40/211119840.db2.gz JKSJYWYIQJPCTJ-UHFFFAOYSA-N 1 2 390.875 2.972 50 0 GFAALO Cc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NC(C)(C)c1ccccc1 ZINC000072153130 211078173 /nfs/dbraw/zinc/07/81/73/211078173.db2.gz GUTFPPLKNZFHMM-FQEVSTJZSA-N 1 2 379.504 2.737 50 0 GFAALO Cc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)NC(C)(C)c1ccccc1 ZINC000072153130 211078178 /nfs/dbraw/zinc/07/81/78/211078178.db2.gz GUTFPPLKNZFHMM-FQEVSTJZSA-N 1 2 379.504 2.737 50 0 GFAALO O=C(CSc1ccc(F)cc1)N1CCCSC[C@@H]1C[NH+]1CCOCC1 ZINC000090609120 211036661 /nfs/dbraw/zinc/03/66/61/211036661.db2.gz MSUPXKQKNRPKNK-INIZCTEOSA-N 1 2 384.542 2.584 50 0 GFAALO Cc1cc(C)n([C@@H]2CC[N@H+](Cc3cccn3S(=O)(=O)c3ccccc3)C2)n1 ZINC000067712617 211016612 /nfs/dbraw/zinc/01/66/12/211016612.db2.gz XZOFTAXUTXZMQE-LJQANCHMSA-N 1 2 384.505 2.985 50 0 GFAALO Cc1cc(C)n([C@@H]2CC[N@@H+](Cc3cccn3S(=O)(=O)c3ccccc3)C2)n1 ZINC000067712617 211016616 /nfs/dbraw/zinc/01/66/16/211016616.db2.gz XZOFTAXUTXZMQE-LJQANCHMSA-N 1 2 384.505 2.985 50 0 GFAALO Cc1nc(-n2cccn2)cc(N2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)[nH+]1 ZINC000067603650 211013721 /nfs/dbraw/zinc/01/37/21/211013721.db2.gz LDUJYZWXWDZNBS-UHFFFAOYSA-N 1 2 399.405 2.603 50 0 GFAALO CCc1ccc(NC(=O)N2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)cc1 ZINC000067621024 211012021 /nfs/dbraw/zinc/01/20/21/211012021.db2.gz AJSVYDDYZARHOY-UHFFFAOYSA-N 1 2 377.452 2.579 50 0 GFAALO C[C@H](Sc1nnc2ccccn21)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020980171 210371303 /nfs/dbraw/zinc/37/13/03/210371303.db2.gz DMTPAPSODBIFCK-INIZCTEOSA-N 1 2 381.505 2.554 50 0 GFAALO COc1ccc(-n2c(C)c(C)c3c2ncnc3NCC[NH+]2CCOCC2)cc1 ZINC000020548173 210346851 /nfs/dbraw/zinc/34/68/51/210346851.db2.gz ROXJLGXNOQWUKR-UHFFFAOYSA-N 1 2 381.480 2.790 50 0 GFAALO CCOc1cc2[nH]c(=S)n(C[C@@H]3CCC[N@@H+]3CC)c(=O)c2cc1OCC ZINC000020644585 210355309 /nfs/dbraw/zinc/35/53/09/210355309.db2.gz RHAUZLLOLDERAS-ZDUSSCGKSA-N 1 2 377.510 2.967 50 0 GFAALO CCOc1cc2[nH]c(=S)n(C[C@@H]3CCC[N@H+]3CC)c(=O)c2cc1OCC ZINC000020644585 210355316 /nfs/dbraw/zinc/35/53/16/210355316.db2.gz RHAUZLLOLDERAS-ZDUSSCGKSA-N 1 2 377.510 2.967 50 0 GFAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1ccccc1Cl ZINC000020508042 210344040 /nfs/dbraw/zinc/34/40/40/210344040.db2.gz BHQVUFWAXQWKJF-UHFFFAOYSA-N 1 2 387.867 2.825 50 0 GFAALO O=C(c1ccc(Cl)cc1)c1ccc(OC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000020293860 210325637 /nfs/dbraw/zinc/32/56/37/210325637.db2.gz WXHVFFOONPLLGV-SFHVURJKSA-N 1 2 375.852 2.643 50 0 GFAALO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1)N(Cc1ccccc1)CC1CC1 ZINC000011934848 221139031 /nfs/dbraw/zinc/13/90/31/221139031.db2.gz QPVWXXGMVKEXMC-JOCHJYFZSA-N 1 2 391.515 2.816 50 0 GFAALO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1)N(Cc1ccccc1)CC1CC1 ZINC000011934848 221139034 /nfs/dbraw/zinc/13/90/34/221139034.db2.gz QPVWXXGMVKEXMC-JOCHJYFZSA-N 1 2 391.515 2.816 50 0 GFAALO C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1cc(F)ccc1F ZINC000040091448 132395405 /nfs/dbraw/zinc/39/54/05/132395405.db2.gz XRRJKJSDZSFWST-CYBMUJFWSA-N 1 2 376.407 2.757 50 0 GFAALO O=C([C@@H]1CCCN(c2ncccc2Cl)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000040134943 136153760 /nfs/dbraw/zinc/15/37/60/136153760.db2.gz ZIIRWQDHPSQPMQ-MRXNPFEDSA-N 1 2 385.899 2.695 50 0 GFAALO COc1ccc(CNC(=O)C2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1 ZINC000065237108 136161003 /nfs/dbraw/zinc/16/10/03/136161003.db2.gz WLRFDMOKZPNSLI-UHFFFAOYSA-N 1 2 395.507 2.618 50 0 GFAALO COc1ccc(CNC(=O)C2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)cc1 ZINC000065237108 136161004 /nfs/dbraw/zinc/16/10/04/136161004.db2.gz WLRFDMOKZPNSLI-UHFFFAOYSA-N 1 2 395.507 2.618 50 0 GFAALO O=C(NCCc1c[nH+]c[nH]1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 ZINC000077099342 136171561 /nfs/dbraw/zinc/17/15/61/136171561.db2.gz ZDUZHUOHDRNQOZ-UHFFFAOYSA-N 1 2 390.491 2.631 50 0 GFAALO O=C(NCCc1c[nH]c[nH+]1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 ZINC000077099342 136171562 /nfs/dbraw/zinc/17/15/62/136171562.db2.gz ZDUZHUOHDRNQOZ-UHFFFAOYSA-N 1 2 390.491 2.631 50 0 GFAALO C[C@H]1CN(c2ccccc2Cl)C(=O)CN1C(=O)Cc1c[nH+]c2ccccn12 ZINC000082120294 136173745 /nfs/dbraw/zinc/17/37/45/136173745.db2.gz HKDOIIHDUXXFFL-AWEZNQCLSA-N 1 2 382.851 2.794 50 0 GFAALO Cc1nc(C[NH2+]C2CCN(c3cc(C)nc(-c4ccccc4O)n3)CC2)no1 ZINC000095531587 136181895 /nfs/dbraw/zinc/18/18/95/136181895.db2.gz DZMMDBIWRGTBIP-UHFFFAOYSA-N 1 2 380.452 2.608 50 0 GFAALO Cc1cc(N2CCN(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000155246746 136195818 /nfs/dbraw/zinc/19/58/18/136195818.db2.gz FOQRJCHCJQVLIA-JQHSSLGASA-N 1 2 387.528 2.554 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CCOc1cc(S(=O)(=O)NCCCn2cc[nH+]c2)c(OCC)cc1Cl ZINC000004945531 551095418 /nfs/dbraw/zinc/09/54/18/551095418.db2.gz MAZGBCUKKVVWJA-UHFFFAOYSA-N 1 2 387.889 2.703 50 0 GFAALO C[N@H+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccc(Br)s1 ZINC000007988107 551102411 /nfs/dbraw/zinc/10/24/11/551102411.db2.gz HYYVYJUMKJIGCE-UHFFFAOYSA-N 1 2 394.294 2.928 50 0 GFAALO C[N@@H+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccc(Br)s1 ZINC000007988107 551102413 /nfs/dbraw/zinc/10/24/13/551102413.db2.gz HYYVYJUMKJIGCE-UHFFFAOYSA-N 1 2 394.294 2.928 50 0 GFAALO COc1ccc(C[N@@H+]2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)c(OC)c1C ZINC000104395909 570258025 /nfs/dbraw/zinc/25/80/25/570258025.db2.gz ROEZIAAPEVHJSD-LJQANCHMSA-N 1 2 388.508 2.982 50 0 GFAALO COc1ccc(C[N@H+]2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)c(OC)c1C ZINC000104395909 570258027 /nfs/dbraw/zinc/25/80/27/570258027.db2.gz ROEZIAAPEVHJSD-LJQANCHMSA-N 1 2 388.508 2.982 50 0 GFAALO Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC2)no1 ZINC000049027021 570259687 /nfs/dbraw/zinc/25/96/87/570259687.db2.gz UJDHJKOUMGADCG-UHFFFAOYSA-N 1 2 393.447 2.719 50 0 GFAALO Cc1ccc(NC(=O)C[NH+]2CC(c3nc(-c4ncccn4)no3)C2)cc1Cl ZINC000049483110 570267882 /nfs/dbraw/zinc/26/78/82/570267882.db2.gz NMWJYUWAAXYAGF-UHFFFAOYSA-N 1 2 384.827 2.526 50 0 GFAALO COCC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2nnc(C(C)(C)C)o2)CC1 ZINC000071890534 570275607 /nfs/dbraw/zinc/27/56/07/570275607.db2.gz VOVMRSRNKQHKTI-QGZVFWFLSA-N 1 2 392.544 2.997 50 0 GFAALO O=C(c1ccc(F)cc1)N1CC[NH+](CCNc2cc(=O)oc3ccccc23)CC1 ZINC000101667365 570284630 /nfs/dbraw/zinc/28/46/30/570284630.db2.gz NBRHEXNUUSEVPZ-UHFFFAOYSA-N 1 2 395.434 2.802 50 0 GFAALO COc1cc(C[N@H+](C)CN2C(=O)NC3(CCCCC3)C2=O)ccc1OC(F)F ZINC000016354619 570327985 /nfs/dbraw/zinc/32/79/85/570327985.db2.gz BBUZVMPTFRLANA-UHFFFAOYSA-N 1 2 397.422 2.941 50 0 GFAALO COc1cc(C[N@@H+](C)CN2C(=O)NC3(CCCCC3)C2=O)ccc1OC(F)F ZINC000016354619 570327988 /nfs/dbraw/zinc/32/79/88/570327988.db2.gz BBUZVMPTFRLANA-UHFFFAOYSA-N 1 2 397.422 2.941 50 0 GFAALO Cn1nccc1[C@@H](O)c1cc2n(n1)CC[N@H+](Cc1cccc(-c3ccco3)c1)C2 ZINC000219182633 570349009 /nfs/dbraw/zinc/34/90/09/570349009.db2.gz QTYOEDVVZVVIAV-QFIPXVFZSA-N 1 2 389.459 2.974 50 0 GFAALO Cn1nccc1[C@@H](O)c1cc2n(n1)CC[N@@H+](Cc1cccc(-c3ccco3)c1)C2 ZINC000219182633 570349012 /nfs/dbraw/zinc/34/90/12/570349012.db2.gz QTYOEDVVZVVIAV-QFIPXVFZSA-N 1 2 389.459 2.974 50 0 GFAALO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1cc(-c2ccccc2)n[nH]1 ZINC000023846819 570373691 /nfs/dbraw/zinc/37/36/91/570373691.db2.gz LZWQCIMDTSNWQP-NRFANRHFSA-N 1 2 376.460 2.880 50 0 GFAALO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2ccc(-n3cccn3)cc2)cc1 ZINC000023865800 570374048 /nfs/dbraw/zinc/37/40/48/570374048.db2.gz AHZQVTSHWJVYIC-QFIPXVFZSA-N 1 2 390.487 2.984 50 0 GFAALO Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=S)NC[C@@H]3CCCO3)cc12 ZINC000004969802 570384753 /nfs/dbraw/zinc/38/47/53/570384753.db2.gz YVCFZTWCJNVPLK-INIZCTEOSA-N 1 2 386.521 2.845 50 0 GFAALO O=C(NCC[NH+]1CCOCC1)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1 ZINC000035559893 570396919 /nfs/dbraw/zinc/39/69/19/570396919.db2.gz KXXPBKMQYIZENI-UHFFFAOYSA-N 1 2 398.894 2.800 50 0 GFAALO Cc1cc2nc(C)c(CCC(=O)Nc3ccc(-n4cc[nH+]c4)nc3)c(C)n2n1 ZINC000024903086 570397752 /nfs/dbraw/zinc/39/77/52/570397752.db2.gz JYCNVGROAABLKY-UHFFFAOYSA-N 1 2 375.436 2.807 50 0 GFAALO O=C(NCCc1cn2ccccc2[nH+]1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000025528328 570415288 /nfs/dbraw/zinc/41/52/88/570415288.db2.gz OVFAWQJNOPVJGW-QGZVFWFLSA-N 1 2 391.475 2.937 50 0 GFAALO O=C(NC[C@H]1CCCO1)C1CC[NH+](CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000026659866 570427534 /nfs/dbraw/zinc/42/75/34/570427534.db2.gz IJUQJHCTFXNSPB-GOSISDBHSA-N 1 2 393.487 2.765 50 0 GFAALO O=C(CN1CCSC1=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000011765620 570434079 /nfs/dbraw/zinc/43/40/79/570434079.db2.gz CVKCAVQSBYQQHG-UHFFFAOYSA-N 1 2 388.518 2.809 50 0 GFAALO O=C(CN1CCSC1=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000011765620 570434082 /nfs/dbraw/zinc/43/40/82/570434082.db2.gz CVKCAVQSBYQQHG-UHFFFAOYSA-N 1 2 388.518 2.809 50 0 GFAALO CC[C@H](C)n1c(=O)c([C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)c(O)[nH]c1=S ZINC000100747928 570438829 /nfs/dbraw/zinc/43/88/29/570438829.db2.gz HHYFLAYINTXGAI-QFYYESIMSA-N 1 2 391.493 2.835 50 0 GFAALO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc2c(c(Cl)c1)OCO2 ZINC000027673803 570440280 /nfs/dbraw/zinc/44/02/80/570440280.db2.gz GZFQZRPOCBPAHS-INIZCTEOSA-N 1 2 388.851 2.700 50 0 GFAALO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc2c(c(Cl)c1)OCO2 ZINC000027673803 570440286 /nfs/dbraw/zinc/44/02/86/570440286.db2.gz GZFQZRPOCBPAHS-INIZCTEOSA-N 1 2 388.851 2.700 50 0 GFAALO CCCCCCn1c(O)c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)[nH]c1=O ZINC000100753776 570440590 /nfs/dbraw/zinc/44/05/90/570440590.db2.gz NRWQURDMNLBUFZ-SFHVURJKSA-N 1 2 382.464 2.539 50 0 GFAALO CCCCCCn1c(=O)[nH]c(O)c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1=O ZINC000100753776 570440592 /nfs/dbraw/zinc/44/05/92/570440592.db2.gz NRWQURDMNLBUFZ-SFHVURJKSA-N 1 2 382.464 2.539 50 0 GFAALO COC(=O)c1sc2[nH]c(C[N@H+](C)Cc3ccc(OC)cc3)nc(=O)c2c1C ZINC000016554358 570446844 /nfs/dbraw/zinc/44/68/44/570446844.db2.gz UQRPSXILOLRMIL-UHFFFAOYSA-N 1 2 387.461 2.720 50 0 GFAALO COC(=O)c1sc2[nH]c(C[N@@H+](C)Cc3ccc(OC)cc3)nc(=O)c2c1C ZINC000016554358 570446848 /nfs/dbraw/zinc/44/68/48/570446848.db2.gz UQRPSXILOLRMIL-UHFFFAOYSA-N 1 2 387.461 2.720 50 0 GFAALO COc1ccc(CCC(=O)NC[C@@H](c2cccs2)[NH+]2CCN(C)CC2)cc1 ZINC000036089962 570532762 /nfs/dbraw/zinc/53/27/62/570532762.db2.gz AHJLFPFQYKCMJV-IBGZPJMESA-N 1 2 387.549 2.794 50 0 GFAALO Cc1ccc(NC(=O)N2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)c(Cl)c1 ZINC000035598124 570555860 /nfs/dbraw/zinc/55/58/60/570555860.db2.gz MWEDCTBEWHUONW-UHFFFAOYSA-N 1 2 397.870 2.978 50 0 GFAALO Cc1noc(C)c1COc1cccc(C(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000032971737 570557308 /nfs/dbraw/zinc/55/73/08/570557308.db2.gz PEATUMASJHNBCN-UHFFFAOYSA-N 1 2 387.480 2.711 50 0 GFAALO CCOc1ccc(CN2CC[N@H+](Cc3cnn(CC)c3C)C[C@H]2CCO)cc1 ZINC000036385801 570564722 /nfs/dbraw/zinc/56/47/22/570564722.db2.gz WKMKKECVIGGMJO-OAQYLSRUSA-N 1 2 386.540 2.679 50 0 GFAALO CCOc1ccc(CN2CC[N@@H+](Cc3cnn(CC)c3C)C[C@H]2CCO)cc1 ZINC000036385801 570564726 /nfs/dbraw/zinc/56/47/26/570564726.db2.gz WKMKKECVIGGMJO-OAQYLSRUSA-N 1 2 386.540 2.679 50 0 GFAALO Cc1nc(C[NH+]2CCC(CNC(=O)c3c(F)ccc(O)c3F)CC2)oc1C ZINC000225505313 570581070 /nfs/dbraw/zinc/58/10/70/570581070.db2.gz TYVBNIBNLLKZSQ-UHFFFAOYSA-N 1 2 379.407 2.917 50 0 GFAALO O=C(NCCc1ccccc1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000036252893 570586835 /nfs/dbraw/zinc/58/68/35/570586835.db2.gz CYWVQLFJAQIZCT-QFIPXVFZSA-N 1 2 397.563 2.848 50 0 GFAALO COC(=O)[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1)c1c[nH+]cn1C ZINC000225556379 570587903 /nfs/dbraw/zinc/58/79/03/570587903.db2.gz ILJNQJOVELLWKE-YWZLYKJASA-N 1 2 393.443 2.885 50 0 GFAALO COc1cccc(OC)c1C[N@@H+]1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1 ZINC000039445007 570591412 /nfs/dbraw/zinc/59/14/12/570591412.db2.gz MPHSOXDOPBOFID-LJQANCHMSA-N 1 2 388.483 2.912 50 0 GFAALO COc1cccc(OC)c1C[N@H+]1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1 ZINC000039445007 570591414 /nfs/dbraw/zinc/59/14/14/570591414.db2.gz MPHSOXDOPBOFID-LJQANCHMSA-N 1 2 388.483 2.912 50 0 GFAALO O=C(NCc1ccccn1)c1ccc(OC2CC[NH+](Cc3c[nH]cn3)CC2)cc1 ZINC000012317647 570641702 /nfs/dbraw/zinc/64/17/02/570641702.db2.gz ATOUGFYLCKLLKS-UHFFFAOYSA-N 1 2 391.475 2.778 50 0 GFAALO O=C(NCc1ccccn1)c1ccc(OC2CC[NH+](Cc3cnc[nH]3)CC2)cc1 ZINC000012317647 570641708 /nfs/dbraw/zinc/64/17/08/570641708.db2.gz ATOUGFYLCKLLKS-UHFFFAOYSA-N 1 2 391.475 2.778 50 0 GFAALO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000054104276 570676370 /nfs/dbraw/zinc/67/63/70/570676370.db2.gz AFOURSBHZGYIQY-XHDPSFHLSA-N 1 2 399.274 2.900 50 0 GFAALO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000054104276 570676371 /nfs/dbraw/zinc/67/63/71/570676371.db2.gz AFOURSBHZGYIQY-XHDPSFHLSA-N 1 2 399.274 2.900 50 0 GFAALO COc1ccc(OC)c(-c2nc(C[NH+]3CCN(c4ncccn4)CC3)c(C)o2)c1 ZINC000055198474 570686880 /nfs/dbraw/zinc/68/68/80/570686880.db2.gz USGREWJYNHGOIN-UHFFFAOYSA-N 1 2 395.463 2.779 50 0 GFAALO CCn1nc(C)c(S(=O)(=O)N2CC[C@@H](n3c(C)[nH+]c4ccccc43)C2)c1C ZINC000585149213 570712280 /nfs/dbraw/zinc/71/22/80/570712280.db2.gz HHHBJERLXHKZIX-MRXNPFEDSA-N 1 2 387.509 2.814 50 0 GFAALO Cc1noc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)n1 ZINC000058210249 570720291 /nfs/dbraw/zinc/72/02/91/570720291.db2.gz OCSQWVVXTPUWJW-UHFFFAOYSA-N 1 2 379.258 2.991 50 0 GFAALO O=C(C[NH+]1CCC(c2nc(-c3cccc(F)c3)no2)CC1)NCc1ccco1 ZINC000065184228 570723213 /nfs/dbraw/zinc/72/32/13/570723213.db2.gz NPDNNGZALLGPBV-UHFFFAOYSA-N 1 2 384.411 2.965 50 0 GFAALO O=C(Cc1csc(NC(=O)C2CCCC2)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000036657878 570781387 /nfs/dbraw/zinc/78/13/87/570781387.db2.gz DJFOFRQRDUGCRO-UHFFFAOYSA-N 1 2 399.520 2.558 50 0 GFAALO COc1ccc(NC(=O)N2CCN(c3[nH+]c4ccccc4n3C)CC2)cc1OC ZINC000033106501 570811180 /nfs/dbraw/zinc/81/11/80/570811180.db2.gz VKNFEDDJJSNZJR-UHFFFAOYSA-N 1 2 395.463 2.945 50 0 GFAALO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000054174804 570824355 /nfs/dbraw/zinc/82/43/55/570824355.db2.gz IAPHQNWKIICVLK-UHFFFAOYSA-N 1 2 393.322 2.882 50 0 GFAALO C[C@@H](NC(=O)Cc1nn(C)c(=O)c2ccccc12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012541477 570842011 /nfs/dbraw/zinc/84/20/11/570842011.db2.gz NSYLYKHGRGUCIQ-OAHLLOKOSA-N 1 2 387.443 2.539 50 0 GFAALO O=C(c1cc(-c2ccccc2)n[nH]1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000012541257 570842559 /nfs/dbraw/zinc/84/25/59/570842559.db2.gz VSTOVJUHXUTQMF-UHFFFAOYSA-N 1 2 376.460 2.914 50 0 GFAALO O=C(C1CCCC1)N1CCN(c2[nH+]cnc3c2cnn3-c2ccc(F)cc2)CC1 ZINC000032829586 570844267 /nfs/dbraw/zinc/84/42/67/570844267.db2.gz SKABUTDDINPGPM-UHFFFAOYSA-N 1 2 394.454 2.793 50 0 GFAALO Cc1nc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)nn1-c1ccc(F)cc1 ZINC000032860072 570860200 /nfs/dbraw/zinc/86/02/00/570860200.db2.gz ZOOIZMVFDPHAJA-UHFFFAOYSA-N 1 2 390.422 2.890 50 0 GFAALO CSc1cccc(N2C[C@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)CC2=O)c1 ZINC000016637599 570929331 /nfs/dbraw/zinc/92/93/31/570929331.db2.gz HQXHCNPSPBSVNK-MRXNPFEDSA-N 1 2 396.516 2.505 50 0 GFAALO COc1ccc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c(OC)c1 ZINC000033280310 570954401 /nfs/dbraw/zinc/95/44/01/570954401.db2.gz WQEFIFPNESBLNW-UHFFFAOYSA-N 1 2 388.493 2.974 50 0 GFAALO COCCN(C)c1ccc(CNc2ccc(-c3nnnn3C3CC3)cc2)c[nH+]1 ZINC000252494135 570974794 /nfs/dbraw/zinc/97/47/94/570974794.db2.gz NMBGMRWBIPXCPV-UHFFFAOYSA-N 1 2 379.468 2.765 50 0 GFAALO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ccn(-c3ccc(F)cc3F)n2)CC1 ZINC000252499165 570976955 /nfs/dbraw/zinc/97/69/55/570976955.db2.gz RWJQQKXSJPGMFV-LJQANCHMSA-N 1 2 387.434 2.830 50 0 GFAALO CC(C)Cn1nc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c2ccccc2c1=O ZINC000045050156 570985932 /nfs/dbraw/zinc/98/59/32/570985932.db2.gz HFOVXOUQYAPNNI-UHFFFAOYSA-N 1 2 397.504 2.749 50 0 GFAALO CC(C)Cn1nc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c2ccccc2c1=O ZINC000045050156 570985933 /nfs/dbraw/zinc/98/59/33/570985933.db2.gz HFOVXOUQYAPNNI-UHFFFAOYSA-N 1 2 397.504 2.749 50 0 GFAALO O=C(c1ccc(F)c(F)c1F)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000016649853 570994238 /nfs/dbraw/zinc/99/42/38/570994238.db2.gz ABZIEBVZESOCLO-UHFFFAOYSA-N 1 2 378.350 2.791 50 0 GFAALO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000023248508 570996691 /nfs/dbraw/zinc/99/66/91/570996691.db2.gz QFNFHPLRBVUEEP-INIZCTEOSA-N 1 2 398.532 2.630 50 0 GFAALO c1coc(-c2nc3nc4c(c(N5CCN(c6cccc[nH+]6)CC5)n3n2)CCC4)c1 ZINC000046022677 571013038 /nfs/dbraw/zinc/01/30/38/571013038.db2.gz UTDGTNABJJRTOJ-UHFFFAOYSA-N 1 2 387.447 2.595 50 0 GFAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2sccc2C(N)=O)c1 ZINC000007718316 571020519 /nfs/dbraw/zinc/02/05/19/571020519.db2.gz XWEFMZOVDNIPSF-HNNXBMFYSA-N 1 2 389.477 2.640 50 0 GFAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2sccc2C(N)=O)c1 ZINC000007718316 571020521 /nfs/dbraw/zinc/02/05/21/571020521.db2.gz XWEFMZOVDNIPSF-HNNXBMFYSA-N 1 2 389.477 2.640 50 0 GFAALO Cc1cc(N2CCN([C@H](C)C(=O)NCc3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000012783990 571036728 /nfs/dbraw/zinc/03/67/28/571036728.db2.gz AYCMYLKIADTHSQ-GOSISDBHSA-N 1 2 381.524 2.735 50 0 GFAALO Cn1c[nH+]cc1-c1ccc(C(=O)N2CCCN(C(=O)c3ccoc3)CC2)cc1 ZINC000426512052 231232189 /nfs/dbraw/zinc/23/21/89/231232189.db2.gz HHYLHJJJYBJBMB-UHFFFAOYSA-N 1 2 378.432 2.668 50 0 GFAALO Cn1c(C[NH+](C)C)nnc1[C@H]1CCCN(C(=O)c2csc3c2CCCC3)C1 ZINC000426620049 231247319 /nfs/dbraw/zinc/24/73/19/231247319.db2.gz NGWCHHDPXYDDPT-AWEZNQCLSA-N 1 2 387.553 2.837 50 0 GFAALO Cc1cc(C(F)(F)F)nc(CCNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000426465448 231223613 /nfs/dbraw/zinc/22/36/13/231223613.db2.gz LJUGPZAJCXOXPV-LBPRGKRZSA-N 1 2 382.390 2.659 50 0 GFAALO O=C(c1ccnn1COc1ccccc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000018166619 210214893 /nfs/dbraw/zinc/21/48/93/210214893.db2.gz DVPMZFVLSMJENU-UHFFFAOYSA-N 1 2 397.866 2.930 50 0 GFAALO CC(C)[N@H+](CC(N)=O)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000016419685 210189121 /nfs/dbraw/zinc/18/91/21/210189121.db2.gz ZRODVHXLSJXZHS-CQSZACIVSA-N 1 2 390.534 2.683 50 0 GFAALO CC(C)[N@@H+](CC(N)=O)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000016419685 210189127 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386.423 2.666 50 0 GFAALO COc1cc(OC)cc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccc(C)cc2)c1 ZINC000012945682 210033623 /nfs/dbraw/zinc/03/36/23/210033623.db2.gz CJBZELRPSMZGGU-NRFANRHFSA-N 1 2 384.476 2.816 50 0 GFAALO O=C(Cc1c[nH]c2ccccc12)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000012922548 210030938 /nfs/dbraw/zinc/03/09/38/210030938.db2.gz XAOKLUUVMABQIQ-UHFFFAOYSA-N 1 2 377.444 2.784 50 0 GFAALO CC(C)C[C@@H](CNS(=O)(=O)c1ccc2ccccc2c1)[NH+]1CCOCC1 ZINC000012819933 210014463 /nfs/dbraw/zinc/01/44/63/210014463.db2.gz IBGNUCMQTZPIEI-IBGZPJMESA-N 1 2 376.522 2.865 50 0 GFAALO O=c1cc(N2CC[NH+](CCOc3ccccc3Cl)CC2)nc2ccccn12 ZINC000012798933 210010565 /nfs/dbraw/zinc/01/05/65/210010565.db2.gz RYHRZENVHSXXPD-UHFFFAOYSA-N 1 2 384.867 2.549 50 0 GFAALO Cc1cccc(N2CC[NH+](CN3C(=O)N[C@@](C)(C4CCCCC4)C3=O)CC2)c1 ZINC000012557596 209975059 /nfs/dbraw/zinc/97/50/59/209975059.db2.gz PPPPIUDNYYKYNJ-QFIPXVFZSA-N 1 2 384.524 2.965 50 0 GFAALO CC[NH+]1CCN(c2ncc3c(n2)C[C@H](c2ccc(OC)c(OC)c2)CC3=O)CC1 ZINC000002362121 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CC[N@H+]1CCc2c(sc3c2c(NCCc2ccccc2)nc2nnnn23)C1 ZINC000020518956 210344452 /nfs/dbraw/zinc/34/44/52/210344452.db2.gz VLBRYLJZOZDADC-UHFFFAOYSA-N 1 2 379.493 2.767 50 0 GFAALO Cc1cc(C)c2c(n1)sc(C(=O)NCC[NH+]1CCOCC1)c2-n1cccc1 ZINC000020465930 210338267 /nfs/dbraw/zinc/33/82/67/210338267.db2.gz FHLNHORFQQYCBN-UHFFFAOYSA-N 1 2 384.505 2.766 50 0 GFAALO Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCC[NH+]3CCOCC3)c2c1 ZINC000020407712 210330611 /nfs/dbraw/zinc/33/06/11/210330611.db2.gz LWSFUBWASLYHOX-UHFFFAOYSA-N 1 2 376.460 2.667 50 0 GFAALO O=c1cc(CN2CC[NH+](Cc3ccc(F)cc3Cl)CC2)nc2sccn21 ZINC000020435985 210333066 /nfs/dbraw/zinc/33/30/66/210333066.db2.gz PXVPBWBUDRZWDM-UHFFFAOYSA-N 1 2 392.887 2.866 50 0 GFAALO COc1cccc(N2CC[NH+]([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)c1 ZINC000019798417 210298276 /nfs/dbraw/zinc/29/82/76/210298276.db2.gz BYKBNSVCPGZRGU-IBGZPJMESA-N 1 2 399.878 2.803 50 0 GFAALO CCOc1cccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)c1 ZINC000019770791 210294511 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390.875 2.509 50 0 GFAALO Cc1ccc(NC(=O)NCCNc2cc(N3CCOCC3)[nH+]cn2)cc1Cl ZINC000072442396 136170950 /nfs/dbraw/zinc/17/09/50/136170950.db2.gz HPIBHTAKIGEHCX-UHFFFAOYSA-N 1 2 390.875 2.509 50 0 GFAALO COc1ccc(N2CC[N@H+](Cc3ccccc3Cn3cccn3)CC2=O)cc1 ZINC000082120946 136173811 /nfs/dbraw/zinc/17/38/11/136173811.db2.gz NJYKMPWAQUSZGX-UHFFFAOYSA-N 1 2 376.460 2.789 50 0 GFAALO COc1ccc(N2CC[N@@H+](Cc3ccccc3Cn3cccn3)CC2=O)cc1 ZINC000082120946 136173812 /nfs/dbraw/zinc/17/38/12/136173812.db2.gz NJYKMPWAQUSZGX-UHFFFAOYSA-N 1 2 376.460 2.789 50 0 GFAALO COc1cccc(Cc2c(C)[nH+]c(C3CC3)nc2N2CCN(C(C)=O)CC2)c1 ZINC000096316896 136186321 /nfs/dbraw/zinc/18/63/21/136186321.db2.gz YCIRUCGWOWENSQ-UHFFFAOYSA-N 1 2 380.492 2.930 50 0 GFAALO O=C1C[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000100308894 136189230 /nfs/dbraw/zinc/18/92/30/136189230.db2.gz IEPRAQQDOXGHSW-SFHVURJKSA-N 1 2 387.842 2.933 50 0 GFAALO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ncnc4sccc43)CC2)[C@@H]1C ZINC000127548273 136192650 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O=C(NCc1ccccc1F)c1cn(-c2cc(N3CCCCC3)[nH+]cn2)cn1 ZINC000049411252 570266487 /nfs/dbraw/zinc/26/64/87/570266487.db2.gz IGMRLLNNFSGJSW-UHFFFAOYSA-N 1 2 380.427 2.722 50 0 GFAALO COc1cc(CN2CC[NH+](Cc3c(C)nc4ccccn43)CC2)cc(OC)c1O ZINC000022793418 570328336 /nfs/dbraw/zinc/32/83/36/570328336.db2.gz ARGDWKWOBSTHRJ-UHFFFAOYSA-N 1 2 396.491 2.683 50 0 GFAALO O=c1[nH]c(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)nc2cc(Cl)ccc21 ZINC000022934935 570338063 /nfs/dbraw/zinc/33/80/63/570338063.db2.gz XZYJAFSYCYORQW-IBGZPJMESA-N 1 2 398.894 2.740 50 0 GFAALO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NC(=O)NC2CCCC2)c(OC)c1 ZINC000007739787 570341483 /nfs/dbraw/zinc/34/14/83/570341483.db2.gz WTZIRRVHRWQUOO-KRWDZBQOSA-N 1 2 375.469 2.609 50 0 GFAALO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NC(=O)NC2CCCC2)c(OC)c1 ZINC000007739787 570341485 /nfs/dbraw/zinc/34/14/85/570341485.db2.gz WTZIRRVHRWQUOO-KRWDZBQOSA-N 1 2 375.469 2.609 50 0 GFAALO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnc(NC3CCCCC3)s2)CC1 ZINC000023174826 570347724 /nfs/dbraw/zinc/34/77/24/570347724.db2.gz VCUBVWBVOIHUJG-ZDUSSCGKSA-N 1 2 383.587 2.927 50 0 GFAALO Cn1cccc1C(=O)NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000035399811 570350335 /nfs/dbraw/zinc/35/03/35/570350335.db2.gz UTFACFVYCNNVAG-HXUWFJFHSA-N 1 2 379.485 2.991 50 0 GFAALO Cn1cccc1C(=O)NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000035399811 570350338 /nfs/dbraw/zinc/35/03/38/570350338.db2.gz UTFACFVYCNNVAG-HXUWFJFHSA-N 1 2 379.485 2.991 50 0 GFAALO COc1ccc(-c2cc3[nH+]ccn3c(Nc3ncccc3C(N)=O)n2)cc1OC ZINC000003817793 570351167 /nfs/dbraw/zinc/35/11/67/570351167.db2.gz JWQOJVOKBAAAAR-UHFFFAOYSA-N 1 2 390.403 2.651 50 0 in-vitro GFAALO CC(C)NC(=O)C[NH+]1CCN(Cn2cc(-c3ccc(F)cc3)oc2=S)CC1 ZINC000023255607 570352884 /nfs/dbraw/zinc/35/28/84/570352884.db2.gz AFBWVNXHQUVCRD-UHFFFAOYSA-N 1 2 392.500 2.716 50 0 GFAALO Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)c1C ZINC000023389444 570360239 /nfs/dbraw/zinc/36/02/39/570360239.db2.gz WQQLEAVVOBVKHY-QGZVFWFLSA-N 1 2 381.476 2.720 50 0 GFAALO Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)c1C ZINC000023389444 570360240 /nfs/dbraw/zinc/36/02/40/570360240.db2.gz WQQLEAVVOBVKHY-QGZVFWFLSA-N 1 2 381.476 2.720 50 0 GFAALO O=C1C[C@@H]([NH+]2CCN(c3ccccn3)CC2)C(=O)N1c1cccc2ccccc21 ZINC000004188166 570362005 /nfs/dbraw/zinc/36/20/05/570362005.db2.gz BGYIKDHEQDYLOZ-HXUWFJFHSA-N 1 2 386.455 2.689 50 0 GFAALO Cc1cc(Cl)ccc1OCC[NH+]1CCN(C(=O)[C@H]2CCC[C@H](O)C2)CC1 ZINC000219588309 570369630 /nfs/dbraw/zinc/36/96/30/570369630.db2.gz CFUCLIHEHRYLLY-WMZOPIPTSA-N 1 2 380.916 2.723 50 0 GFAALO COc1ccc(N2C(=O)C(=O)N(C[N@@H+]3CCC[C@@H]3c3cccs3)C2=O)cc1 ZINC000023805623 570372917 /nfs/dbraw/zinc/37/29/17/570372917.db2.gz HGJQNBCARZCBDM-OAHLLOKOSA-N 1 2 385.445 2.847 50 0 GFAALO COc1ccc(N2C(=O)C(=O)N(C[N@H+]3CCC[C@@H]3c3cccs3)C2=O)cc1 ZINC000023805623 570372918 /nfs/dbraw/zinc/37/29/18/570372918.db2.gz HGJQNBCARZCBDM-OAHLLOKOSA-N 1 2 385.445 2.847 50 0 GFAALO C[C@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)N1CC[NH+](C)CC1 ZINC000035536902 570390831 /nfs/dbraw/zinc/39/08/31/570390831.db2.gz KWLXWZSJVFXFLY-INIZCTEOSA-N 1 2 376.460 2.838 50 0 GFAALO CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000025650182 570417372 /nfs/dbraw/zinc/41/73/72/570417372.db2.gz QETDNKAHIBBXJD-LJQANCHMSA-N 1 2 379.464 2.839 50 0 GFAALO Cc1cc(N2CCN(Cc3nc(N)c4ccccc4n3)CC2)nc(C(C)C)[nH+]1 ZINC000027375091 570433905 /nfs/dbraw/zinc/43/39/05/570433905.db2.gz MTBQVJMLXAJWPV-UHFFFAOYSA-N 1 2 377.496 2.756 50 0 GFAALO COc1ccnc(N2CC[NH+]([C@@H](C)c3nc(-c4ccc(C)c(F)c4)no3)CC2)n1 ZINC000140257796 570455504 /nfs/dbraw/zinc/45/55/04/570455504.db2.gz JVOCEDHGNCXJPW-AWEZNQCLSA-N 1 2 398.442 2.866 50 0 GFAALO Cc1ccc(NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)cc1C(=O)N(C)C(C)C ZINC000192551077 570458636 /nfs/dbraw/zinc/45/86/36/570458636.db2.gz OOVMXOSZLDYNJU-HXUWFJFHSA-N 1 2 387.524 2.915 50 0 GFAALO Cc1ccc(NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)cc1C(=O)N(C)C(C)C ZINC000192551077 570458641 /nfs/dbraw/zinc/45/86/41/570458641.db2.gz OOVMXOSZLDYNJU-HXUWFJFHSA-N 1 2 387.524 2.915 50 0 GFAALO COc1cc(OC)cc([C@@H](NC(=O)NOCc2ccccc2)c2[nH+]ccn2C)c1 ZINC000029728607 570478572 /nfs/dbraw/zinc/47/85/72/570478572.db2.gz YPFZBPBROOFNPP-LJQANCHMSA-N 1 2 396.447 2.958 50 0 GFAALO CC1CCC(NC(=O)C[NH+]2CCN(c3ccc(Br)cn3)CC2)CC1 ZINC000030200434 570486764 /nfs/dbraw/zinc/48/67/64/570486764.db2.gz KPILMZWHUVNGCP-UHFFFAOYSA-N 1 2 395.345 2.661 50 0 GFAALO O=C(NCCn1cc[nH+]c1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000043341375 570515362 /nfs/dbraw/zinc/51/53/62/570515362.db2.gz RIFNTMYBCGZJTR-UHFFFAOYSA-N 1 2 383.374 2.560 50 0 GFAALO COc1ccccc1N1CC[NH+](CC(=O)N2N=CC[C@H]2c2ccccc2)CC1 ZINC000035851842 570558210 /nfs/dbraw/zinc/55/82/10/570558210.db2.gz GESMSPMOADOPTA-IBGZPJMESA-N 1 2 378.476 2.777 50 0 GFAALO O[C@H](COc1ccccc1)CN1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000225535136 570585488 /nfs/dbraw/zinc/58/54/88/570585488.db2.gz UWZNUWIAWKYFHC-NRFANRHFSA-N 1 2 377.488 2.792 50 0 GFAALO COCc1ccc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)o1 ZINC000039460739 570591984 /nfs/dbraw/zinc/59/19/84/570591984.db2.gz HUEDPAHFEGIGDE-MRXNPFEDSA-N 1 2 380.435 2.773 50 0 GFAALO COCc1ccc(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)o1 ZINC000039460739 570591987 /nfs/dbraw/zinc/59/19/87/570591987.db2.gz HUEDPAHFEGIGDE-MRXNPFEDSA-N 1 2 380.435 2.773 50 0 GFAALO COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc2c(c1)[nH+]c1n2CCN(C)C1 ZINC000036354415 570635484 /nfs/dbraw/zinc/63/54/84/570635484.db2.gz BAZPEPNYURDXSZ-HXUWFJFHSA-N 1 2 394.431 2.780 50 0 GFAALO Cc1ccc2c(=O)c3c([nH]c2c1C)CC[N@H+](CC(=O)NCc1ccccc1F)C3 ZINC000065034862 570653686 /nfs/dbraw/zinc/65/36/86/570653686.db2.gz WODFVLJOLISFIE-UHFFFAOYSA-N 1 2 393.462 2.959 50 0 GFAALO Cc1ccc2c(=O)c3c([nH]c2c1C)CC[N@@H+](CC(=O)NCc1ccccc1F)C3 ZINC000065034862 570653688 /nfs/dbraw/zinc/65/36/88/570653688.db2.gz WODFVLJOLISFIE-UHFFFAOYSA-N 1 2 393.462 2.959 50 0 GFAALO Cc1cc(C)c2[nH]c3c(c(=O)c2c1)C[N@H+](CC(=O)NCc1ccccc1)CC3 ZINC000065034934 570654354 /nfs/dbraw/zinc/65/43/54/570654354.db2.gz QHQGURJUEBXLBQ-UHFFFAOYSA-N 1 2 375.472 2.819 50 0 GFAALO Cc1cc(C)c2[nH]c3c(c(=O)c2c1)C[N@@H+](CC(=O)NCc1ccccc1)CC3 ZINC000065034934 570654356 /nfs/dbraw/zinc/65/43/56/570654356.db2.gz QHQGURJUEBXLBQ-UHFFFAOYSA-N 1 2 375.472 2.819 50 0 GFAALO CCCN(C)c1cc(C)[nH+]c(SCc2ccc(C(=O)NCCOC)o2)n1 ZINC000006874725 570665838 /nfs/dbraw/zinc/66/58/38/570665838.db2.gz WLJIYZZOOXBHKH-UHFFFAOYSA-N 1 2 378.498 2.893 50 0 GFAALO Cn1cc(-c2csc(CNc3ccc(N4CCC(CO)CC4)c[nH+]3)n2)cn1 ZINC000240668117 570685566 /nfs/dbraw/zinc/68/55/66/570685566.db2.gz HMLCXUGPMZFIJF-UHFFFAOYSA-N 1 2 384.509 2.759 50 0 GFAALO O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)c1c[nH]c(=O)c2ccccc12 ZINC000241897383 570687922 /nfs/dbraw/zinc/68/79/22/570687922.db2.gz TYGKIFLMPORFKQ-FQEVSTJZSA-N 1 2 377.444 2.744 50 0 GFAALO CCOc1nnc(C[NH+]2CCC(C(=O)Nc3ccccc3OC)CC2)s1 ZINC000058163027 570713496 /nfs/dbraw/zinc/71/34/96/570713496.db2.gz AYWMBNAHNWHGEA-UHFFFAOYSA-N 1 2 376.482 2.796 50 0 GFAALO Nc1nc2c(s1)[C@@H](c1ccc(OCCCn3cc[nH+]c3)cc1)CC(=O)NC2 ZINC000065388172 570764667 /nfs/dbraw/zinc/76/46/67/570764667.db2.gz DPYIVRUZKBNEKI-OAHLLOKOSA-N 1 2 383.477 2.543 50 0 GFAALO O=C(c1cnc(C[NH+]2CCCC2)s1)N1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1 ZINC000065406765 570767083 /nfs/dbraw/zinc/76/70/83/570767083.db2.gz XEURONKYJKASLX-DLBZAZTESA-N 1 2 389.496 2.869 50 0 GFAALO Cc1nc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)nn1-c1ccc(F)cc1 ZINC000032787193 570809570 /nfs/dbraw/zinc/80/95/70/570809570.db2.gz LYWLJHBOPQGATN-UHFFFAOYSA-N 1 2 380.427 2.640 50 0 GFAALO C[NH+]1CCN(c2c(=O)c(=O)c2NCCC(c2ccccc2)c2ccccc2)CC1 ZINC000101675633 570828567 /nfs/dbraw/zinc/82/85/67/570828567.db2.gz ZGGSQSHPILLGJW-UHFFFAOYSA-N 1 2 389.499 2.669 50 0 GFAALO Cc1cccc(N2CC[NH+](CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)CC2)c1 ZINC000012523602 570829983 /nfs/dbraw/zinc/82/99/83/570829983.db2.gz HDVYCVKATFHYOW-SFHVURJKSA-N 1 2 392.503 2.881 50 0 GFAALO Cc1noc2nc(C3CC3)cc(C(=O)N3CC[NH+](Cc4ccccn4)CC3)c12 ZINC000032822850 570841946 /nfs/dbraw/zinc/84/19/46/570841946.db2.gz JNADENUXENJHST-UHFFFAOYSA-N 1 2 377.448 2.762 50 0 GFAALO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccc(F)cc1 ZINC000032841832 570850671 /nfs/dbraw/zinc/85/06/71/570850671.db2.gz QWSDOUXDPJFZAO-DNVCBOLYSA-N 1 2 384.455 2.556 50 0 GFAALO O=C(NCc1ccc(C[NH+]2CCOCC2)o1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000170595052 570853285 /nfs/dbraw/zinc/85/32/85/570853285.db2.gz HBLGASAMKCYBIC-DLBZAZTESA-N 1 2 376.403 2.810 50 0 GFAALO COc1ccc(OCC[NH+]2CCN(C(=O)N[C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000032863301 570861901 /nfs/dbraw/zinc/86/19/01/570861901.db2.gz KKGRXJPBPSRVAG-PXNSSMCTSA-N 1 2 375.513 2.980 50 0 GFAALO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000170604700 570862195 /nfs/dbraw/zinc/86/21/95/570862195.db2.gz MTJZANLJPICYSM-SJBKTWHCSA-N 1 2 384.520 2.741 50 0 GFAALO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000170604700 570862199 /nfs/dbraw/zinc/86/21/99/570862199.db2.gz MTJZANLJPICYSM-SJBKTWHCSA-N 1 2 384.520 2.741 50 0 GFAALO Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N[C@@H](C)c1[nH]cc[nH+]1 ZINC000170617835 570875458 /nfs/dbraw/zinc/87/54/58/570875458.db2.gz GAXVVTFEDCZZAT-HNNXBMFYSA-N 1 2 398.488 2.688 50 0 GFAALO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cnc3c(cnn3C(C)C)c2)CC1 ZINC000058977866 570924497 /nfs/dbraw/zinc/92/44/97/570924497.db2.gz VZGFSHXCUQUNHX-UHFFFAOYSA-N 1 2 382.468 2.575 50 0 GFAALO COc1c2c(c(NC(=O)CCc3c(C)noc3C)c3c1C[N@H+](C)CC3)OCO2 ZINC000032123860 570963237 /nfs/dbraw/zinc/96/32/37/570963237.db2.gz HREVWYBNJRGFQH-UHFFFAOYSA-N 1 2 387.436 2.588 50 0 GFAALO COc1c2c(c(NC(=O)CCc3c(C)noc3C)c3c1C[N@@H+](C)CC3)OCO2 ZINC000032123860 570963240 /nfs/dbraw/zinc/96/32/40/570963240.db2.gz HREVWYBNJRGFQH-UHFFFAOYSA-N 1 2 387.436 2.588 50 0 GFAALO Cc1cccn2cc(COc3ccccc3C(=O)N3CCC(C(N)=O)CC3)[nH+]c12 ZINC000012736054 570978018 /nfs/dbraw/zinc/97/80/18/570978018.db2.gz KXKMDUQSZAICNA-UHFFFAOYSA-N 1 2 392.459 2.559 50 0 GFAALO O=C(c1csc(-c2ccoc2)n1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000108278430 570986466 /nfs/dbraw/zinc/98/64/66/570986466.db2.gz IMYVKARUYXMXCP-SFHVURJKSA-N 1 2 383.473 2.895 50 0 GFAALO CCOC(=O)N1CC[NH+]([C@H]2CCCN(C(=O)c3sccc3Cl)C2)CC1 ZINC000059471977 571035117 /nfs/dbraw/zinc/03/51/17/571035117.db2.gz CZANRUAPSCBWDO-ZDUSSCGKSA-N 1 2 385.917 2.780 50 0 GFAALO Cc1cc(-c2cccc(C(=O)NCCc3c[nH+]c[nH]3)c2)nc(N2CCCC2)n1 ZINC000426530752 231236763 /nfs/dbraw/zinc/23/67/63/231236763.db2.gz GFWDEXBCLSXYOK-UHFFFAOYSA-N 1 2 376.464 2.748 50 0 GFAALO Cc1cc(-c2cccc(C(=O)NCCc3c[nH]c[nH+]3)c2)nc(N2CCCC2)n1 ZINC000426530752 231236765 /nfs/dbraw/zinc/23/67/65/231236765.db2.gz GFWDEXBCLSXYOK-UHFFFAOYSA-N 1 2 376.464 2.748 50 0 GFAALO O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000225752939 222695509 /nfs/dbraw/zinc/69/55/09/222695509.db2.gz UZHUZJKZVZKCHI-UHFFFAOYSA-N 1 2 390.491 2.931 50 0 GFAALO CCOc1cccc(C[NH2+][C@H]2CNC(=O)c3cc(-c4cccc(OC)c4)nn32)c1 ZINC000263617284 212141235 /nfs/dbraw/zinc/14/12/35/212141235.db2.gz NBJAVYSHQPQUBL-OAQYLSRUSA-N 1 2 392.459 2.989 50 0 GFAALO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCSCC2)cc1F ZINC000239611993 212133442 /nfs/dbraw/zinc/13/34/42/212133442.db2.gz FGPUAAADZHSPBX-MRXNPFEDSA-N 1 2 391.468 2.572 50 0 GFAALO CCOc1ccccc1CN1CC[N@H+](Cc2cccc3c2OCO3)C[C@H]1CCO ZINC000036385815 212118505 /nfs/dbraw/zinc/11/85/05/212118505.db2.gz RKCILQMNCUQMNQ-HXUWFJFHSA-N 1 2 398.503 2.883 50 0 GFAALO CCOc1ccccc1CN1CC[N@@H+](Cc2cccc3c2OCO3)C[C@H]1CCO ZINC000036385815 212118509 /nfs/dbraw/zinc/11/85/09/212118509.db2.gz RKCILQMNCUQMNQ-HXUWFJFHSA-N 1 2 398.503 2.883 50 0 GFAALO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000007796518 221012735 /nfs/dbraw/zinc/01/27/35/221012735.db2.gz SPEBECCILQUKED-IBGZPJMESA-N 1 2 377.485 2.549 50 0 GFAALO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000007796518 221012738 /nfs/dbraw/zinc/01/27/38/221012738.db2.gz SPEBECCILQUKED-IBGZPJMESA-N 1 2 377.485 2.549 50 0 GFAALO O=C(C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCc2ccccc21 ZINC000008231004 221031634 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386.540 2.841 50 0 GFAALO Cc1cc(C)c(S(=O)(=O)N2CC[NH+](Cn3cnc4ccccc43)CC2)c(C)c1 ZINC000019908990 221464113 /nfs/dbraw/zinc/46/41/13/221464113.db2.gz YZFVLCOFWOQKIQ-UHFFFAOYSA-N 1 2 398.532 2.926 50 0 GFAALO CCOC(=O)c1nn(Cc2ccccc2)c2c1CN(Cc1[nH]c[nH+]c1C)CC2 ZINC000020918163 221519955 /nfs/dbraw/zinc/51/99/55/221519955.db2.gz JTZKOMFWNSCGKK-UHFFFAOYSA-N 1 2 379.464 2.698 50 0 GFAALO CC(=O)Nc1cccc2c(C(=O)N3CCN(c4cccc[nH+]4)CC3)ccnc12 ZINC000065178141 136159912 /nfs/dbraw/zinc/15/99/12/136159912.db2.gz VOYGSUDJRHPUIA-UHFFFAOYSA-N 1 2 375.432 2.551 50 0 GFAALO Cc1nc(-n2cccn2)cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)[nH+]1 ZINC000065363079 136163477 /nfs/dbraw/zinc/16/34/77/136163477.db2.gz JRINJJNXIMRJDD-UHFFFAOYSA-N 1 2 397.870 2.978 50 0 GFAALO Cc1cc(C)cc(NC(=O)N2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)c1 ZINC000072434272 136170365 /nfs/dbraw/zinc/17/03/65/136170365.db2.gz GEFVLQRYYWUYNQ-UHFFFAOYSA-N 1 2 377.452 2.633 50 0 GFAALO O=C(c1cccc(I)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000018220264 136202345 /nfs/dbraw/zinc/20/23/45/136202345.db2.gz LPWUKMLDKRMBCW-UHFFFAOYSA-N 1 2 393.228 2.649 50 0 GFAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccccc4C)CC3)[nH+]c(C)n2)n1 ZINC000035597274 221830535 /nfs/dbraw/zinc/83/05/35/221830535.db2.gz IVXOVTQNUPXBMX-UHFFFAOYSA-N 1 2 390.491 2.858 50 0 GFAALO COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C[N@@H+]2CCc3sccc3C2)cc1 ZINC000052432875 222006021 /nfs/dbraw/zinc/00/60/21/222006021.db2.gz BEIQYAQFYWOLPC-SFHVURJKSA-N 1 2 399.516 2.745 50 0 GFAALO COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C[N@H+]2CCc3sccc3C2)cc1 ZINC000052432875 222006026 /nfs/dbraw/zinc/00/60/26/222006026.db2.gz BEIQYAQFYWOLPC-SFHVURJKSA-N 1 2 399.516 2.745 50 0 GFAALO C[N@@H+]1CCc2n[nH]c(C(=O)N3CCC[C@@]4(C=Cc5ccccc5O4)CC3)c2C1 ZINC000067804273 222159207 /nfs/dbraw/zinc/15/92/07/222159207.db2.gz GRJSKOBGXLPRGH-JOCHJYFZSA-N 1 2 378.476 2.868 50 0 GFAALO C[N@H+]1CCc2n[nH]c(C(=O)N3CCC[C@@]4(C=Cc5ccccc5O4)CC3)c2C1 ZINC000067804273 222159212 /nfs/dbraw/zinc/15/92/12/222159212.db2.gz GRJSKOBGXLPRGH-JOCHJYFZSA-N 1 2 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ZINC000104451205 570258426 /nfs/dbraw/zinc/25/84/26/570258426.db2.gz CBNVDDSBBMWOCP-HXUWFJFHSA-N 1 2 388.508 2.812 50 0 GFAALO COCc1cc(C[N@H+]2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)ccc1OC ZINC000104451205 570258427 /nfs/dbraw/zinc/25/84/27/570258427.db2.gz CBNVDDSBBMWOCP-HXUWFJFHSA-N 1 2 388.508 2.812 50 0 GFAALO CC[C@]1(C)Cc2c(sc3nc(SCC[NH+]4CCOCC4)nc(N)c23)CO1 ZINC000020547925 570267494 /nfs/dbraw/zinc/26/74/94/570267494.db2.gz NNWSSICQTDRHBP-GOSISDBHSA-N 1 2 394.566 2.939 50 0 GFAALO Cc1ccc(C(=O)N2CCC[C@H](Cn3cc[nH+]c3)C2)cc1NC(=O)[C@@H]1CCCO1 ZINC000020821561 570281956 /nfs/dbraw/zinc/28/19/56/570281956.db2.gz FHFUDHFEPARDCZ-XLIONFOSSA-N 1 2 396.491 2.861 50 0 GFAALO O=C(c1cc(-n2cccn2)ccc1Cl)N1CC[NH+](Cc2cccnc2)CC1 ZINC000215818007 570292173 /nfs/dbraw/zinc/29/21/73/570292173.db2.gz NVIPTLRYBJPYLK-UHFFFAOYSA-N 1 2 381.867 2.879 50 0 GFAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(C(=O)Cn2cnc3ccccc3c2=O)C1 ZINC000575414371 570303321 /nfs/dbraw/zinc/30/33/21/570303321.db2.gz BNSCPENZNGZHTC-MRXNPFEDSA-N 1 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ZINC000065295537 136162824 /nfs/dbraw/zinc/16/28/24/136162824.db2.gz VIVPIIYUIITMFN-UHFFFAOYSA-N 1 2 378.480 2.687 50 0 GFAALO Cc1ccccc1CNC(=O)Cn1ncc2c1nc[nH+]c2N1CCC(C)CC1 ZINC000065295620 136162900 /nfs/dbraw/zinc/16/29/00/136162900.db2.gz KXCBZFXJZLHQOD-UHFFFAOYSA-N 1 2 378.480 2.687 50 0 GFAALO CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000100594424 136189079 /nfs/dbraw/zinc/18/90/79/136189079.db2.gz WIXMQYGUYSUFSZ-FQEVSTJZSA-N 1 2 379.460 2.539 50 0 GFAALO COc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3ncnc4sccc43)CC2)cc1 ZINC000127566540 136192575 /nfs/dbraw/zinc/19/25/75/136192575.db2.gz PIEUCDKRVTWWTH-AWEZNQCLSA-N 1 2 397.504 2.849 50 0 GFAALO COc1cc[nH+]c(N2CCN(C(=O)c3c[nH]c4ccc(C)cc4c3=O)CC2)c1 ZINC000170594492 136198656 /nfs/dbraw/zinc/19/86/56/136198656.db2.gz YJOCKPVSVBFRPE-UHFFFAOYSA-N 1 2 378.432 2.615 50 0 GFAALO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc2ccccc2n1 ZINC000027617321 221656855 /nfs/dbraw/zinc/65/68/55/221656855.db2.gz CTLMEVGKLMSPIE-UHFFFAOYSA-N 1 2 378.451 2.926 50 0 GFAALO O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000057291162 222030068 /nfs/dbraw/zinc/03/00/68/222030068.db2.gz UQQKCKGGPFJLDI-NRFANRHFSA-N 1 2 381.476 2.597 50 0 GFAALO CC[NH+]1CCN(C(=O)c2cc(COc3cccc(C(F)(F)F)c3)n[nH]2)CC1 ZINC000055253009 222017633 /nfs/dbraw/zinc/01/76/33/222017633.db2.gz MDJICXJLTKDMGU-UHFFFAOYSA-N 1 2 382.386 2.785 50 0 GFAALO COc1ccc(CN2C(=O)O[C@@H]3C[N@@H+](Cc4cccc(C)n4)C[C@@H]32)cc1OC ZINC000055371500 222020473 /nfs/dbraw/zinc/02/04/73/222020473.db2.gz SVRSPWXEUPFOFW-FXAWDEMLSA-N 1 2 383.448 2.612 50 0 GFAALO COc1ccc(CN2C(=O)O[C@@H]3C[N@H+](Cc4cccc(C)n4)C[C@@H]32)cc1OC ZINC000055371500 222020475 /nfs/dbraw/zinc/02/04/75/222020475.db2.gz SVRSPWXEUPFOFW-FXAWDEMLSA-N 1 2 383.448 2.612 50 0 GFAALO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1S(=O)(=O)CC)c1ccco1 ZINC000058190881 222043338 /nfs/dbraw/zinc/04/33/38/222043338.db2.gz RTOWCBKSIRIXGJ-MRXNPFEDSA-N 1 2 378.494 2.886 50 0 GFAALO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000058180504 222044196 /nfs/dbraw/zinc/04/41/96/222044196.db2.gz NRQSXTPFVBOPSU-HNNXBMFYSA-N 1 2 377.916 2.935 50 0 GFAALO C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000058180504 222044199 /nfs/dbraw/zinc/04/41/99/222044199.db2.gz NRQSXTPFVBOPSU-HNNXBMFYSA-N 1 2 377.916 2.935 50 0 GFAALO COc1ccc(-c2nc(C(=O)NCC(C)(C)[NH+]3CCOCC3)cs2)cc1 ZINC000058338820 222049157 /nfs/dbraw/zinc/04/91/57/222049157.db2.gz OPKLMXJEPOIKFK-UHFFFAOYSA-N 1 2 375.494 2.659 50 0 GFAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)C4CCCCC4)CC3)[nH+]c(C)n2)n1 ZINC000067630001 222152284 /nfs/dbraw/zinc/15/22/84/222152284.db2.gz UVSUIYIHJULLOF-UHFFFAOYSA-N 1 2 382.512 2.816 50 0 GFAALO CCCc1ccc(S(=O)(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000069081983 222172440 /nfs/dbraw/zinc/17/24/40/222172440.db2.gz SHXMHEDRCOHXOY-UHFFFAOYSA-N 1 2 380.554 2.953 50 0 GFAALO C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc(Cl)cc1 ZINC000071328840 222182482 /nfs/dbraw/zinc/18/24/82/222182482.db2.gz GCNNJPJJGRMYQH-CQSZACIVSA-N 1 2 387.871 2.594 50 0 GFAALO CC(C)N(C)C(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000072170567 222217170 /nfs/dbraw/zinc/21/71/70/222217170.db2.gz ZSEUHCQEPPJXEX-NRFANRHFSA-N 1 2 379.504 2.911 50 0 GFAALO CC(C)N(C)C(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000072170567 222217173 /nfs/dbraw/zinc/21/71/73/222217173.db2.gz ZSEUHCQEPPJXEX-NRFANRHFSA-N 1 2 379.504 2.911 50 0 GFAALO COCCn1cc[nH+]c1C1CCN(C(=O)c2ccccc2-c2ncc[nH]2)CC1 ZINC000095516965 222345011 /nfs/dbraw/zinc/34/50/11/222345011.db2.gz KICBRZLNIXOVNQ-UHFFFAOYSA-N 1 2 379.464 2.939 50 0 GFAALO COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2csc(C(C)=O)c2)C1 ZINC000095499671 222333917 /nfs/dbraw/zinc/33/39/17/222333917.db2.gz IDTQYJYCGIACCI-MRXNPFEDSA-N 1 2 375.494 2.742 50 0 GFAALO CC(=O)c1cc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cs1 ZINC000095505799 222337667 /nfs/dbraw/zinc/33/76/67/222337667.db2.gz SSDXHCRDYXHWMW-UHFFFAOYSA-N 1 2 398.532 2.960 50 0 GFAALO CC(=O)c1cc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)cs1 ZINC000095505799 222337669 /nfs/dbraw/zinc/33/76/69/222337669.db2.gz SSDXHCRDYXHWMW-UHFFFAOYSA-N 1 2 398.532 2.960 50 0 GFAALO C[C@H](Cn1cccn1)C(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000095511705 222343212 /nfs/dbraw/zinc/34/32/12/222343212.db2.gz XAVVZFXZVHZDJL-QGZVFWFLSA-N 1 2 378.480 2.565 50 0 GFAALO Cc1cccc2[nH]c([C@H]3CCCN(C(=O)c4[nH]nc5c4C[N@H+](C)CC5)C3)nc21 ZINC000077406649 222281573 /nfs/dbraw/zinc/28/15/73/222281573.db2.gz NSQKFQUUAMZTMW-AWEZNQCLSA-N 1 2 378.480 2.602 50 0 GFAALO Cc1cccc2[nH]c([C@H]3CCCN(C(=O)c4[nH]nc5c4C[N@@H+](C)CC5)C3)nc21 ZINC000077406649 222281574 /nfs/dbraw/zinc/28/15/74/222281574.db2.gz NSQKFQUUAMZTMW-AWEZNQCLSA-N 1 2 378.480 2.602 50 0 GFAALO Cc1cccc(CC(=O)N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(=O)C2CC2)c1 ZINC000095517388 222344490 /nfs/dbraw/zinc/34/44/90/222344490.db2.gz YNGPWBGUOQSQAD-UHFFFAOYSA-N 1 2 392.503 2.573 50 0 GFAALO O=C(c1n[nH]c2c1CCC2)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000095528953 222352465 /nfs/dbraw/zinc/35/24/65/222352465.db2.gz GGOOUSZWDULNNS-UHFFFAOYSA-N 1 2 376.464 2.558 50 0 GFAALO CN(C)C(=O)N1CCC(c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)CC1 ZINC000095999035 222369216 /nfs/dbraw/zinc/36/92/16/222369216.db2.gz QESXKWLIEOSYDH-GOSISDBHSA-N 1 2 399.495 2.504 50 0 GFAALO CN(C)C(=O)N1CCC(c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)CC1 ZINC000095999035 222369220 /nfs/dbraw/zinc/36/92/20/222369220.db2.gz QESXKWLIEOSYDH-GOSISDBHSA-N 1 2 399.495 2.504 50 0 GFAALO Cc1nnnn1-c1cccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C(C)C)C2)c1 ZINC000095522120 222345687 /nfs/dbraw/zinc/34/56/87/222345687.db2.gz QJMQUVXORVXSOI-QGZVFWFLSA-N 1 2 379.468 2.768 50 0 GFAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCc3nccn3C)csc2C1 ZINC000426651376 534365208 /nfs/dbraw/zinc/36/52/08/534365208.db2.gz RNVABFGDTHSXFB-UHFFFAOYSA-N 1 2 385.493 2.575 50 0 GFAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCc3nccn3C)csc2C1 ZINC000426651376 534365212 /nfs/dbraw/zinc/36/52/12/534365212.db2.gz RNVABFGDTHSXFB-UHFFFAOYSA-N 1 2 385.493 2.575 50 0 GFAALO CC(C)n1cnnc1[C@H](C)NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000426431091 528645687 /nfs/dbraw/zinc/64/56/87/528645687.db2.gz QNJDOQMJMQLFED-HKMNZKMDSA-N 1 2 382.512 2.961 50 0 GFAALO COC(=O)Cn1ncc2c1nc[nH+]c2N1CCCC[C@H]1CCc1ccccc1 ZINC000089401001 536387769 /nfs/dbraw/zinc/38/77/69/536387769.db2.gz HOHHSNHVVJIPKV-KRWDZBQOSA-N 1 2 379.464 2.991 50 0 GFAALO O=C(COc1ccc(Br)cc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000019889471 551114919 /nfs/dbraw/zinc/11/49/19/551114919.db2.gz UAMSGMXGLANNTM-UHFFFAOYSA-N 1 2 390.281 2.567 50 0 GFAALO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000047944075 570217212 /nfs/dbraw/zinc/21/72/12/570217212.db2.gz PIWFOARVTPXEAY-CYBMUJFWSA-N 1 2 385.430 2.766 50 0 GFAALO CCOc1cc(C[NH+]2CCN(C(=O)COc3ccccc3)CC2)ccc1OC ZINC000019889228 570227547 /nfs/dbraw/zinc/22/75/47/570227547.db2.gz VONUOBOEBUYTMC-UHFFFAOYSA-N 1 2 384.476 2.817 50 0 GFAALO COC(=O)NCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000048319542 570235611 /nfs/dbraw/zinc/23/56/11/570235611.db2.gz ROHIXFLTYXVWAK-UHFFFAOYSA-N 1 2 391.468 2.554 50 0 GFAALO COc1ccc(CN2CC[N@H+](Cc3cnc(C)s3)C[C@H]2CCO)cc1C ZINC000104525362 570259738 /nfs/dbraw/zinc/25/97/38/570259738.db2.gz BNTWVIJGTVSQLZ-GOSISDBHSA-N 1 2 375.538 2.837 50 0 GFAALO COc1ccc(CN2CC[N@@H+](Cc3cnc(C)s3)C[C@H]2CCO)cc1C ZINC000104525362 570259740 /nfs/dbraw/zinc/25/97/40/570259740.db2.gz BNTWVIJGTVSQLZ-GOSISDBHSA-N 1 2 375.538 2.837 50 0 GFAALO COc1ccc([C@@H](C)NC(=O)CSc2ccc(-n3c[nH+]c(C)c3)nn2)cc1 ZINC000049401184 570263737 /nfs/dbraw/zinc/26/37/37/570263737.db2.gz LHAOFQOXOLYMDB-CQSZACIVSA-N 1 2 383.477 2.949 50 0 GFAALO Cc1nc(N2CCc3c(cnc(C)c3-c3noc([C@@H]4CCCO4)n3)C2)cc[nH+]1 ZINC000020541603 570266596 /nfs/dbraw/zinc/26/65/96/570266596.db2.gz FHGBAAVRDCIBSJ-INIZCTEOSA-N 1 2 378.436 2.953 50 0 GFAALO Cn1ncc2c1nc(NCC[NH+]1CCOCC1)nc2Nc1cccc(Cl)c1 ZINC000020560398 570268027 /nfs/dbraw/zinc/26/80/27/570268027.db2.gz GPMXCZKBSBPXAL-UHFFFAOYSA-N 1 2 387.875 2.504 50 0 GFAALO CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1c3ccccc3C=C[N@@H+]1[C@@H]2C(=O)c1ccc(F)cc1 ZINC000020598106 570269121 /nfs/dbraw/zinc/26/91/21/570269121.db2.gz PALMNRKJZYOPEU-MANSERQUSA-N 1 2 376.387 2.649 50 0 GFAALO CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1c3ccccc3C=C[N@H+]1[C@@H]2C(=O)c1ccc(F)cc1 ZINC000020598106 570269123 /nfs/dbraw/zinc/26/91/23/570269123.db2.gz PALMNRKJZYOPEU-MANSERQUSA-N 1 2 376.387 2.649 50 0 GFAALO COc1ccc(C(=O)[C@@H](O)[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)cc1OC ZINC000100919786 570279207 /nfs/dbraw/zinc/27/92/07/570279207.db2.gz ZTYFVEASKFFIJK-IRLDBZIGSA-N 1 2 385.460 2.629 50 0 GFAALO COCCNC(=O)NC(=O)C[N@H+](C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000020809134 570281738 /nfs/dbraw/zinc/28/17/38/570281738.db2.gz FCYJQTPIHQFMPQ-UHFFFAOYSA-N 1 2 379.844 2.504 50 0 GFAALO COCCNC(=O)NC(=O)C[N@@H+](C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000020809134 570281741 /nfs/dbraw/zinc/28/17/41/570281741.db2.gz FCYJQTPIHQFMPQ-UHFFFAOYSA-N 1 2 379.844 2.504 50 0 GFAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1ccc2c(c1)CCC2 ZINC000021847702 570297776 /nfs/dbraw/zinc/29/77/76/570297776.db2.gz IUMPYHVHYGMJLO-UHFFFAOYSA-N 1 2 393.487 2.660 50 0 GFAALO CSc1ccccc1NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022035090 570302665 /nfs/dbraw/zinc/30/26/65/570302665.db2.gz FUDPVWZTJLSCIL-UHFFFAOYSA-N 1 2 399.516 2.894 50 0 GFAALO CCC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022535093 570321290 /nfs/dbraw/zinc/32/12/90/570321290.db2.gz MNTWOTUEQFPHDH-FQEVSTJZSA-N 1 2 386.467 2.980 50 0 GFAALO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000247854197 570324489 /nfs/dbraw/zinc/32/44/89/570324489.db2.gz SQAJLAVFEKAKKH-RDGPPVDQSA-N 1 2 392.386 2.514 50 0 GFAALO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000247854197 570324490 /nfs/dbraw/zinc/32/44/90/570324490.db2.gz SQAJLAVFEKAKKH-RDGPPVDQSA-N 1 2 392.386 2.514 50 0 GFAALO CCOc1ccc(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000022805428 570329438 /nfs/dbraw/zinc/32/94/38/570329438.db2.gz OJVVHPUITAVDSB-UHFFFAOYSA-N 1 2 395.503 2.777 50 0 GFAALO CCCn1ncc(C[N@@H+]2CCN(Cc3cccc(OC)c3)[C@@H](CCO)C2)c1C ZINC000023145331 570346640 /nfs/dbraw/zinc/34/66/40/570346640.db2.gz HQIADAZSCQKMEW-NRFANRHFSA-N 1 2 386.540 2.679 50 0 GFAALO CCCn1ncc(C[N@H+]2CCN(Cc3cccc(OC)c3)[C@@H](CCO)C2)c1C ZINC000023145331 570346642 /nfs/dbraw/zinc/34/66/42/570346642.db2.gz HQIADAZSCQKMEW-NRFANRHFSA-N 1 2 386.540 2.679 50 0 GFAALO COc1cccc(-n2cc([C@@H](C)NC(=O)C[N@H+](C)Cc3cccnc3)cn2)c1 ZINC000219117850 570347787 /nfs/dbraw/zinc/34/77/87/570347787.db2.gz TWSHYHOXFOSZTK-MRXNPFEDSA-N 1 2 379.464 2.585 50 0 GFAALO COc1cccc(-n2cc([C@@H](C)NC(=O)C[N@@H+](C)Cc3cccnc3)cn2)c1 ZINC000219117850 570347790 /nfs/dbraw/zinc/34/77/90/570347790.db2.gz TWSHYHOXFOSZTK-MRXNPFEDSA-N 1 2 379.464 2.585 50 0 GFAALO COc1cccc(-n2cc([C@H](C)NC(=O)C[N@H+](C)Cc3cccnc3)cn2)c1 ZINC000219117949 570347815 /nfs/dbraw/zinc/34/78/15/570347815.db2.gz TWSHYHOXFOSZTK-INIZCTEOSA-N 1 2 379.464 2.585 50 0 GFAALO COc1cccc(-n2cc([C@H](C)NC(=O)C[N@@H+](C)Cc3cccnc3)cn2)c1 ZINC000219117949 570347818 /nfs/dbraw/zinc/34/78/18/570347818.db2.gz TWSHYHOXFOSZTK-INIZCTEOSA-N 1 2 379.464 2.585 50 0 GFAALO COc1cc(C[N@@H+]2CCN(Cc3ccccc3F)C[C@@H]2CCO)cc(OC)c1 ZINC000023361204 570356811 /nfs/dbraw/zinc/35/68/11/570356811.db2.gz GRRCVVLVZUOKFX-IBGZPJMESA-N 1 2 388.483 2.912 50 0 GFAALO COc1cc(C[N@H+]2CCN(Cc3ccccc3F)C[C@@H]2CCO)cc(OC)c1 ZINC000023361204 570356812 /nfs/dbraw/zinc/35/68/12/570356812.db2.gz GRRCVVLVZUOKFX-IBGZPJMESA-N 1 2 388.483 2.912 50 0 GFAALO COc1cc(CN2CC[N@H+](Cc3ccccc3F)C[C@@H]2CCO)cc(OC)c1 ZINC000023361204 570356814 /nfs/dbraw/zinc/35/68/14/570356814.db2.gz GRRCVVLVZUOKFX-IBGZPJMESA-N 1 2 388.483 2.912 50 0 GFAALO COc1cc(CN2CC[N@@H+](Cc3ccccc3F)C[C@@H]2CCO)cc(OC)c1 ZINC000023361204 570356816 /nfs/dbraw/zinc/35/68/16/570356816.db2.gz GRRCVVLVZUOKFX-IBGZPJMESA-N 1 2 388.483 2.912 50 0 GFAALO O=C(CC[NH+]1CCOCC1)N1CCC[C@H](C(=O)c2cccc3ccccc32)C1 ZINC000023366531 570356964 /nfs/dbraw/zinc/35/69/64/570356964.db2.gz PFXMWZDJYDPSGB-IBGZPJMESA-N 1 2 380.488 2.983 50 0 GFAALO CCOc1ccc(N2C(=O)C=C([NH2+]Nc3nc4ccccc4s3)C2O)cc1 ZINC000100416700 570359703 /nfs/dbraw/zinc/35/97/03/570359703.db2.gz DLNPDSVWVHPIMM-OAHLLOKOSA-N 1 2 382.445 2.944 50 0 GFAALO CC[C@@H]1Cn2c(C(=O)NCC[NH+]3CCOCC3)cc3c2c(ccc3Cl)O1 ZINC000035477507 570365841 /nfs/dbraw/zinc/36/58/41/570365841.db2.gz SVZJZRWQWUQATO-CYBMUJFWSA-N 1 2 377.872 2.528 50 0 GFAALO Cc1cccn2cc(CNC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3C)[nH+]c12 ZINC000023620010 570366735 /nfs/dbraw/zinc/36/67/35/570366735.db2.gz NSXIQRAQLBAXMP-LJQANCHMSA-N 1 2 392.459 2.999 50 0 GFAALO COc1ccc(C[NH+]2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc1F ZINC000023761840 570372031 /nfs/dbraw/zinc/37/20/31/570372031.db2.gz KJDKPDHNSPXNBZ-UHFFFAOYSA-N 1 2 396.418 2.899 50 0 GFAALO C[C@@H](NC(=O)c1cc(N2CCOCC2)ccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000023846861 570373792 /nfs/dbraw/zinc/37/37/92/570373792.db2.gz ZVXZDCHGOGEXBI-MRXNPFEDSA-N 1 2 377.448 2.595 50 0 GFAALO Cn1cc[nH+]c1[C@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1)c1cccc(F)c1 ZINC000024016762 570377012 /nfs/dbraw/zinc/37/70/12/570377012.db2.gz JWFKSRFXXDFLSF-IEBWSBKVSA-N 1 2 395.438 2.565 50 0 GFAALO CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050011 570377975 /nfs/dbraw/zinc/37/79/75/570377975.db2.gz XROMARMUOLOODQ-UHFFFAOYSA-N 1 2 380.423 2.790 50 0 GFAALO COc1ccc([C@H](CNC(=O)c2c[nH]c3ccccc32)[NH+]2CCOCC2)cc1 ZINC000024573222 570386103 /nfs/dbraw/zinc/38/61/03/570386103.db2.gz CEHSNNAVICIMPB-NRFANRHFSA-N 1 2 379.460 2.980 50 0 GFAALO CC(C)[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)[NH+]1CCOCC1 ZINC000024988636 570402334 /nfs/dbraw/zinc/40/23/34/570402334.db2.gz FFKMTMRLDKIDTG-CQSZACIVSA-N 1 2 381.325 2.629 50 0 GFAALO COCC[NH+](CCOC)CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 ZINC000026228123 570423295 /nfs/dbraw/zinc/42/32/95/570423295.db2.gz DFYFYNBYWOFSAV-FQEVSTJZSA-N 1 2 399.491 2.861 50 0 GFAALO COC(=O)c1ccc(C[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 ZINC000026209778 570423403 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1 2 392.503 2.968 50 0 GFAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000030034380 570485784 /nfs/dbraw/zinc/48/57/84/570485784.db2.gz FMTSMMOEPXZZBC-IYBDPMFKSA-N 1 2 393.491 2.783 50 0 GFAALO COc1cc2c(cc1OC)C[N@@H+]([C@H](C)C(=O)Nc1ccc3c(c1)OCCO3)CC2 ZINC000006602367 570491808 /nfs/dbraw/zinc/49/18/08/570491808.db2.gz YKFLDIOJPOCMJL-CQSZACIVSA-N 1 2 398.459 2.860 50 0 GFAALO COc1cc2c(cc1OC)C[N@H+]([C@H](C)C(=O)Nc1ccc3c(c1)OCCO3)CC2 ZINC000006602367 570491809 /nfs/dbraw/zinc/49/18/09/570491809.db2.gz YKFLDIOJPOCMJL-CQSZACIVSA-N 1 2 398.459 2.860 50 0 GFAALO CC(C)c1cc(CNC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)on1 ZINC000426621834 570501968 /nfs/dbraw/zinc/50/19/68/570501968.db2.gz WIWAQQFPTHDTGN-UHFFFAOYSA-N 1 2 386.452 2.554 50 0 GFAALO COC(=O)CCCc1nc(C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)no1 ZINC000078806202 570509503 /nfs/dbraw/zinc/50/95/03/570509503.db2.gz HNBZIQQSCSXVSE-AWEZNQCLSA-N 1 2 383.452 2.821 50 0 GFAALO COC(=O)CCCc1nc(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)no1 ZINC000078806202 570509505 /nfs/dbraw/zinc/50/95/05/570509505.db2.gz HNBZIQQSCSXVSE-AWEZNQCLSA-N 1 2 383.452 2.821 50 0 GFAALO O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000177284131 570521209 /nfs/dbraw/zinc/52/12/09/570521209.db2.gz RFEQMJKBJQKIIY-HNNXBMFYSA-N 1 2 391.431 2.942 50 0 GFAALO CC(=O)N1CCN(c2[nH+]cnc3c2c(C)c(C)n3CCc2ccccc2)CC1 ZINC000006759248 570574461 /nfs/dbraw/zinc/57/44/61/570574461.db2.gz LQCLHBLOJFSJSD-UHFFFAOYSA-N 1 2 377.492 2.959 50 0 GFAALO O=C(c1c(F)cccc1Cl)N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000038528222 570579869 /nfs/dbraw/zinc/57/98/69/570579869.db2.gz JZNBSPMQXLVRJV-UHFFFAOYSA-N 1 2 389.862 2.832 50 0 GFAALO O=C(c1c(F)cccc1Cl)N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000038528222 570579871 /nfs/dbraw/zinc/57/98/71/570579871.db2.gz JZNBSPMQXLVRJV-UHFFFAOYSA-N 1 2 389.862 2.832 50 0 GFAALO C[C@@H]1CCCCN1C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000036250197 570585432 /nfs/dbraw/zinc/58/54/32/570585432.db2.gz IPJWPQIOTMIUNI-XLIONFOSSA-N 1 2 387.524 2.997 50 0 GFAALO COC(=O)[C@H](NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1)c1c[nH+]cn1C ZINC000225556398 570587986 /nfs/dbraw/zinc/58/79/86/570587986.db2.gz ILJNQJOVELLWKE-FOIQADDNSA-N 1 2 393.443 2.885 50 0 GFAALO COc1cccc(NC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)C(C)C)CC2)c1 ZINC000036311700 570611345 /nfs/dbraw/zinc/61/13/45/570611345.db2.gz UAOTXHLJGVTBNT-FQEVSTJZSA-N 1 2 387.524 2.993 50 0 GFAALO C[N@@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)C[C@@H]1COc2ccccc2O1 ZINC000043765062 570676895 /nfs/dbraw/zinc/67/68/95/570676895.db2.gz KMWACAPFRVRNTH-CYBMUJFWSA-N 1 2 377.400 2.941 50 0 GFAALO C[N@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)C[C@@H]1COc2ccccc2O1 ZINC000043765062 570676900 /nfs/dbraw/zinc/67/69/00/570676900.db2.gz KMWACAPFRVRNTH-CYBMUJFWSA-N 1 2 377.400 2.941 50 0 GFAALO c1ccc(-c2noc(-c3ccn4c(c3)nnc4C[NH+]3CCSCC3)n2)cc1 ZINC000169780613 570690101 /nfs/dbraw/zinc/69/01/01/570690101.db2.gz AABVPHWHUJXFHC-UHFFFAOYSA-N 1 2 378.461 2.995 50 0 GFAALO FC(F)(F)c1cccc(N2CC[NH+](Cc3nc(-c4cnccn4)no3)CC2)c1 ZINC000055281867 570690217 /nfs/dbraw/zinc/69/02/17/570690217.db2.gz ZBJFUKNVSFQZNC-UHFFFAOYSA-N 1 2 390.369 2.868 50 0 GFAALO C[N@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccc2c(c1)OCCO2 ZINC000006931246 570709995 /nfs/dbraw/zinc/70/99/95/570709995.db2.gz PNVWNXRAPAQCGM-UHFFFAOYSA-N 1 2 384.432 2.690 50 0 GFAALO C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccc2c(c1)OCCO2 ZINC000006931246 570709999 /nfs/dbraw/zinc/70/99/99/570709999.db2.gz PNVWNXRAPAQCGM-UHFFFAOYSA-N 1 2 384.432 2.690 50 0 GFAALO CC1=C(C(N)=O)[C@@H](c2ccccc2Cl)N2NC(c3ccc(F)cc3)=NC2=[NH+]1 ZINC000000940731 570731822 /nfs/dbraw/zinc/73/18/22/570731822.db2.gz IKXLXVWPMMTPLU-MRXNPFEDSA-N 1 2 383.814 2.916 50 0 GFAALO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)CC1 ZINC000022200776 570801476 /nfs/dbraw/zinc/80/14/76/570801476.db2.gz YPNPONRTMCXXQH-OAHLLOKOSA-N 1 2 385.537 2.789 50 0 GFAALO COc1ccc(CN2CC[NH+]([C@@H](C)C(=O)NCc3ccc(C)cc3)CC2)cc1F ZINC000032797304 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398.532 2.660 50 0 GFAALO CC(=O)N1CCCCC[C@H]1C1CC[NH+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000071889289 222200404 /nfs/dbraw/zinc/20/04/04/222200404.db2.gz OZMGHVLMYYTCNX-NRFANRHFSA-N 1 2 392.565 2.963 50 0 GFAALO O=C(C[C@H]1COCCN1C(=O)CCc1cn2ccccc2[nH+]1)Nc1ccccc1 ZINC000072408477 222255947 /nfs/dbraw/zinc/25/59/47/222255947.db2.gz CPSISXFWAKQGCD-IBGZPJMESA-N 1 2 392.459 2.523 50 0 GFAALO O=C(CN1CC[NH+](Cc2ccc([C@@H]3CCCCO3)o2)CC1)N1CCCCC1 ZINC000072454479 222262167 /nfs/dbraw/zinc/26/21/67/222262167.db2.gz XOEZRPOMTFLQJP-IBGZPJMESA-N 1 2 375.513 2.651 50 0 GFAALO O=C(C[NH+]1CCN(Cc2ccc([C@@H]3CCCCO3)o2)CC1)N1CCCCC1 ZINC000072454479 222262170 /nfs/dbraw/zinc/26/21/70/222262170.db2.gz XOEZRPOMTFLQJP-IBGZPJMESA-N 1 2 375.513 2.651 50 0 GFAALO Cn1cnnc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2Oc2cccnc2)C1 ZINC000095496907 222332873 /nfs/dbraw/zinc/33/28/73/222332873.db2.gz IBFRIGDTDYUOLK-MRXNPFEDSA-N 1 2 392.463 2.853 50 0 GFAALO Cn1cnnc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2Oc2cccnc2)C1 ZINC000095496907 222332875 /nfs/dbraw/zinc/33/28/75/222332875.db2.gz IBFRIGDTDYUOLK-MRXNPFEDSA-N 1 2 392.463 2.853 50 0 GFAALO O=C([C@@H](O)c1ccccc1)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000095501790 222333755 /nfs/dbraw/zinc/33/37/55/222333755.db2.gz FOKUUEDBAYXBMU-FQEVSTJZSA-N 1 2 376.460 2.766 50 0 GFAALO O=C(Cc1cccc(O)c1)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000095508464 222340590 /nfs/dbraw/zinc/34/05/90/222340590.db2.gz FDZQHKJWBFFCEP-UHFFFAOYSA-N 1 2 376.460 2.981 50 0 GFAALO CCC[C@@H](C)N1CC2(CCN(C(=O)Cc3c[nH+]c4ccccn34)CC2)OC1=O ZINC000077505080 222284306 /nfs/dbraw/zinc/28/43/06/222284306.db2.gz UXKNGTSQBCXYRU-MRXNPFEDSA-N 1 2 384.480 2.879 50 0 GFAALO C[C@H]1C[NH+]=C(N2CCN(C(=O)Nc3nc(-c4ccccc4)ns3)CC2)S1 ZINC000078954322 222298513 /nfs/dbraw/zinc/29/85/13/222298513.db2.gz UDERADVDOBAOPA-LBPRGKRZSA-N 1 2 388.522 2.846 50 0 GFAALO O=c1ccc(-c2ccco2)nn1CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000079479262 222305400 /nfs/dbraw/zinc/30/54/00/222305400.db2.gz OSYDIVBLZDMUEB-UHFFFAOYSA-N 1 2 384.867 2.932 50 0 GFAALO O=C(c1cn2cccnc2n1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082120975 222310048 /nfs/dbraw/zinc/31/00/48/222310048.db2.gz SJDRYNZEEQKNMN-GOSISDBHSA-N 1 2 386.459 2.994 50 0 GFAALO CCn1c(Cn2cc[nH+]c2)nnc1C1CCN(C(=O)c2ccc(C)s2)CC1 ZINC000096165804 222394475 /nfs/dbraw/zinc/39/44/75/222394475.db2.gz XSQBUTMXNVZRPK-UHFFFAOYSA-N 1 2 384.509 2.933 50 0 GFAALO CCC(=O)NCc1cc2n(n1)CC[N@H+](Cc1c(C)nc3ccc(Cl)cn31)C2 ZINC000426444749 528393994 /nfs/dbraw/zinc/39/39/94/528393994.db2.gz XCSPLJCSNISPGT-UHFFFAOYSA-N 1 2 386.887 2.535 50 0 GFAALO CCC(=O)NCc1cc2n(n1)CC[N@@H+](Cc1c(C)nc3ccc(Cl)cn31)C2 ZINC000426444749 528393997 /nfs/dbraw/zinc/39/39/97/528393997.db2.gz XCSPLJCSNISPGT-UHFFFAOYSA-N 1 2 386.887 2.535 50 0 GFAALO CCC(=O)NCc1cc2n(n1)CCN(Cc1c(C)[nH+]c3ccc(Cl)cn31)C2 ZINC000426444749 528394001 /nfs/dbraw/zinc/39/40/01/528394001.db2.gz XCSPLJCSNISPGT-UHFFFAOYSA-N 1 2 386.887 2.535 50 0 GFAALO CCO[C@@H](C)c1noc(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)n1 ZINC000120657316 529109177 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CCCc1nc(N2CCC(c3nnc(Cn4cc[nH+]c4)n3C3CC3)CC2)no1 ZINC000096131471 570211236 /nfs/dbraw/zinc/21/12/36/570211236.db2.gz DCSYFHWSQFHZNJ-UHFFFAOYSA-N 1 2 382.472 2.577 50 0 GFAALO Cc1ccccc1C[C@]1(CO)CCCN(C(=O)C[N@@H+](C)Cc2ccncc2)C1 ZINC000019812842 570221662 /nfs/dbraw/zinc/22/16/62/570221662.db2.gz SHKCBEUFROCPHN-HSZRJFAPSA-N 1 2 381.520 2.666 50 0 GFAALO Cc1ccccc1C[C@]1(CO)CCCN(C(=O)C[N@H+](C)Cc2ccncc2)C1 ZINC000019812842 570221666 /nfs/dbraw/zinc/22/16/66/570221666.db2.gz SHKCBEUFROCPHN-HSZRJFAPSA-N 1 2 381.520 2.666 50 0 GFAALO COc1ccc(CNC(=O)c2sc3nc4c(cc3c2N)C[N@@H+](C)CC4)cc1 ZINC000019853454 570225716 /nfs/dbraw/zinc/22/57/16/570225716.db2.gz UCOFVDRFNNKIGZ-UHFFFAOYSA-N 1 2 382.489 2.805 50 0 GFAALO COc1ccc(CNC(=O)c2sc3nc4c(cc3c2N)C[N@H+](C)CC4)cc1 ZINC000019853454 570225719 /nfs/dbraw/zinc/22/57/19/570225719.db2.gz UCOFVDRFNNKIGZ-UHFFFAOYSA-N 1 2 382.489 2.805 50 0 GFAALO NC(=O)N1CCC[C@H](C(=O)NCC2CCC(c3[nH]c4ccccc4[nH+]3)CC2)C1 ZINC000097088363 570236170 /nfs/dbraw/zinc/23/61/70/570236170.db2.gz SXFXARWDLGXQBZ-GPANFISMSA-N 1 2 383.496 2.744 50 0 GFAALO Cc1ccc(Cl)c(O[C@@H](C)C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000048354840 570243044 /nfs/dbraw/zinc/24/30/44/570243044.db2.gz DTSAGQJJDRURNB-KXBFYZLASA-N 1 2 398.956 2.740 50 0 GFAALO O=C(CCNC(=O)c1ccc2ccccc2c1)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000048362683 570244682 /nfs/dbraw/zinc/24/46/82/570244682.db2.gz QFHFNBAIKXIWPK-UHFFFAOYSA-N 1 2 399.454 2.857 50 0 GFAALO CSc1ncc(CN2CC[N@H+](Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)cn1 ZINC000020166308 570245562 /nfs/dbraw/zinc/24/55/62/570245562.db2.gz URKUOOXSVIUQCE-INIZCTEOSA-N 1 2 394.491 2.546 50 0 GFAALO CSc1ncc(CN2CC[N@@H+](Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)cn1 ZINC000020166308 570245565 /nfs/dbraw/zinc/24/55/65/570245565.db2.gz URKUOOXSVIUQCE-INIZCTEOSA-N 1 2 394.491 2.546 50 0 GFAALO Cc1sc2c(c1C)CN(CC[NH+]1CCOCC1)CN2C(=O)c1ccco1 ZINC000020192552 570246417 /nfs/dbraw/zinc/24/64/17/570246417.db2.gz ZEADUOJYVARCEJ-UHFFFAOYSA-N 1 2 375.494 2.710 50 0 GFAALO COc1ccc(NC(=O)CN2CC[NH+](Cc3ccc(F)cc3)CC2)c(OC)c1 ZINC000020247449 570249819 /nfs/dbraw/zinc/24/98/19/570249819.db2.gz ZHHFETXGTWIRAR-UHFFFAOYSA-N 1 2 387.455 2.599 50 0 GFAALO Cn1cc[nH+]c1CN1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000106327667 570261198 /nfs/dbraw/zinc/26/11/98/570261198.db2.gz IGXDOTMLJDREAN-UHFFFAOYSA-N 1 2 382.295 2.754 50 0 GFAALO O=C(C[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1)NCc1ccccc1 ZINC000097972169 570261897 /nfs/dbraw/zinc/26/18/97/570261897.db2.gz BCEMUFJIKMWTQQ-UHFFFAOYSA-N 1 2 375.875 2.913 50 0 GFAALO O=C(CCC1CCCCC1)N1CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000020530799 570265495 /nfs/dbraw/zinc/26/54/95/570265495.db2.gz WOWCFPZUMGOWFN-UHFFFAOYSA-N 1 2 397.519 2.787 50 0 GFAALO CCn1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(=O)c2ccc(C)nc21 ZINC000020676805 570275144 /nfs/dbraw/zinc/27/51/44/570275144.db2.gz PJHXFJNXAKZHMB-UHFFFAOYSA-N 1 2 390.487 2.683 50 0 GFAALO CCOC(=O)c1ccc(N2C(=O)C[C@@H](Nc3ccc([NH+](C)C)cc3)C2=O)cc1 ZINC000101129385 570281120 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O=C(C[N@@H+]1CCCn2nc([C@@H](O)c3ccccc3)cc2C1)N1CCCCCC1 ZINC000219997736 570380262 /nfs/dbraw/zinc/38/02/62/570380262.db2.gz JZSQWQMLKDTZHP-QFIPXVFZSA-N 1 2 382.508 2.573 50 0 GFAALO Cn1cc[nH+]c1[C@H](NC(=O)CCn1c(=O)oc2ccccc21)c1ccccc1 ZINC000024991504 570402338 /nfs/dbraw/zinc/40/23/38/570402338.db2.gz HZUSKXPBUDYKAL-LJQANCHMSA-N 1 2 376.416 2.624 50 0 GFAALO Cc1cc(Cl)ccc1OCC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H](O)C2)CC1 ZINC000223291417 570456061 /nfs/dbraw/zinc/45/60/61/570456061.db2.gz CFUCLIHEHRYLLY-FUHWJXTLSA-N 1 2 380.916 2.723 50 0 GFAALO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)Cc2ccc3c(c2)OCCO3)c1C ZINC000006509956 570461882 /nfs/dbraw/zinc/46/18/82/570461882.db2.gz PHXHEDSSNJTPLW-UHFFFAOYSA-N 1 2 386.448 2.894 50 0 GFAALO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1C ZINC000006509956 570461885 /nfs/dbraw/zinc/46/18/85/570461885.db2.gz PHXHEDSSNJTPLW-UHFFFAOYSA-N 1 2 386.448 2.894 50 0 GFAALO COc1cccc(C[N@@H+]2CCN(Cc3cc(CC(C)C)[nH]n3)C[C@H]2CCO)c1 ZINC000042496494 570620385 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