smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)c1nc2c(c(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)n1)CC[NH2+]CC2 ZINC001164626483 719053220 /nfs/dbraw/zinc/05/32/20/719053220.db2.gz RQZICHDAYVSVOK-WIYYLYMNSA-N 2 1 441.601 1.669 20 0 IDADMP CCOC(=O)[C@@H]1CCCN(c2ccc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nn2)C1 ZINC001164679755 719641582 /nfs/dbraw/zinc/64/15/82/719641582.db2.gz LXPOSGUDIUIILB-QGZVFWFLSA-N 2 1 441.580 1.928 20 0 IDADMP CCOC(=O)[C@@H]1CCCN(c2ccc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nn2)C1 ZINC001164679755 719641597 /nfs/dbraw/zinc/64/15/97/719641597.db2.gz LXPOSGUDIUIILB-QGZVFWFLSA-N 2 1 441.580 1.928 20 0 IDADMP COCCn1ccc2c1nc[nH+]c2N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164717068 720184750 /nfs/dbraw/zinc/18/47/50/720184750.db2.gz KIJHUJZHSHLFAN-IBGZPJMESA-N 2 1 440.552 1.422 20 0 IDADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164834381 720325241 /nfs/dbraw/zinc/32/52/41/720325241.db2.gz ZSFQUFQBTXNJDX-DLBZAZTESA-N 2 1 426.521 1.656 20 0 IDADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(N3CCC([NH3+])CC3)cc[nH+]2)CC1 ZINC001164829750 720328995 /nfs/dbraw/zinc/32/89/95/720328995.db2.gz NJWLOUZNFBVKPF-PMACEKPBSA-N 3 1 427.597 1.316 20 0 IDADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cccc(N3CCC([NH3+])CC3)n2)CC1 ZINC001164823932 720332587 /nfs/dbraw/zinc/33/25/87/720332587.db2.gz BSFJTEUFZAMMSH-NHCUHLMSSA-N 2 1 426.609 1.921 20 0 IDADMP C[NH+]1CCN(c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)CC1 ZINC001164747659 720812758 /nfs/dbraw/zinc/81/27/58/720812758.db2.gz OUPLCJBSBFNXQN-PWRODBHTSA-N 2 1 437.596 1.199 20 0 IDADMP [NH3+]C1CCN(c2cccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH+]2)CC1 ZINC001164751835 720841743 /nfs/dbraw/zinc/84/17/43/720841743.db2.gz ZBJPPKJSOUADTO-CEMLEFRQSA-N 3 1 436.608 1.980 20 0 IDADMP [NH3+]C1CCN(c2cccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)CC1 ZINC001164751835 720841745 /nfs/dbraw/zinc/84/17/45/720841745.db2.gz ZBJPPKJSOUADTO-CEMLEFRQSA-N 2 1 436.608 1.980 20 0 IDADMP [NH3+]C1CCN(c2cccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)CC1 ZINC001164751835 720841748 /nfs/dbraw/zinc/84/17/48/720841748.db2.gz ZBJPPKJSOUADTO-CEMLEFRQSA-N 2 1 436.608 1.980 20 0 IDADMP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164753728 720967265 /nfs/dbraw/zinc/96/72/65/720967265.db2.gz JCOXZTVRPBWZSD-UHFFFAOYSA-N 2 1 428.537 1.397 20 0 IDADMP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(OCC5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164896663 721444273 /nfs/dbraw/zinc/44/42/73/721444273.db2.gz RSMBFANVZMCAFE-URXFXBBRSA-N 2 1 444.624 1.620 20 0 IDADMP C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(OCC4CC[NH2+]CC4)nn2)CC3)CC1 ZINC001165001080 722239247 /nfs/dbraw/zinc/23/92/47/722239247.db2.gz BIRHPMQWNCPGKU-UHFFFAOYSA-N 2 1 438.580 1.002 20 0 IDADMP CS(=O)(=O)c1nc2c(c(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)n1)CC[NH2+]CC2 ZINC001164626481 719053282 /nfs/dbraw/zinc/05/32/82/719053282.db2.gz RQZICHDAYVSVOK-NQIIRXRSSA-N 2 1 441.601 1.669 20 0 IDADMP CS(=O)(=O)c1nc2c(c(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)n1)CC[NH2+]CC2 ZINC001164626482 719053587 /nfs/dbraw/zinc/05/35/87/719053587.db2.gz RQZICHDAYVSVOK-RXVVDRJESA-N 2 1 441.601 1.669 20 0 IDADMP Cn1nnc2c1CCN(c1cc[nH+]c(N3CCCCC3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716634 720196584 /nfs/dbraw/zinc/19/65/84/720196584.db2.gz QLAHVQFHGVVMMU-IBGZPJMESA-N 2 1 426.569 1.812 20 0 IDADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ncccc3C(=O)N3CC[NH2+]CC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837262 720567528 /nfs/dbraw/zinc/56/75/28/720567528.db2.gz LNYQJVRYSRXPRI-JAXLGGSGSA-N 2 1 437.592 1.701 20 0 IDADMP [NH3+]C1CCN(c2cccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH+]2)CC1 ZINC001164751837 720841808 /nfs/dbraw/zinc/84/18/08/720841808.db2.gz ZBJPPKJSOUADTO-KSEOMHKRSA-N 3 1 436.608 1.980 20 0 IDADMP [NH3+]C1CCN(c2cccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)CC1 ZINC001164751837 720841812 /nfs/dbraw/zinc/84/18/12/720841812.db2.gz ZBJPPKJSOUADTO-KSEOMHKRSA-N 2 1 436.608 1.980 20 0 IDADMP [NH3+]C1CCN(c2cccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)CC1 ZINC001164751837 720841813 /nfs/dbraw/zinc/84/18/13/720841813.db2.gz ZBJPPKJSOUADTO-KSEOMHKRSA-N 2 1 436.608 1.980 20 0 IDADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164750383 720849001 /nfs/dbraw/zinc/84/90/01/720849001.db2.gz XJQIZRIQXCOYAY-ZJOUEHCJSA-N 2 1 438.580 1.578 20 0 IDADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cncc(N4CC[NH2+]CC4)n3)C2)C1 ZINC001164778215 721352699 /nfs/dbraw/zinc/35/26/99/721352699.db2.gz LGGQVWSSPFQJGI-QHCPKHFHSA-N 2 1 441.580 1.610 20 0 IDADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cncc(N4CC[NH2+]CC4)n3)C2)C1 ZINC001164778215 721352705 /nfs/dbraw/zinc/35/27/05/721352705.db2.gz LGGQVWSSPFQJGI-QHCPKHFHSA-N 2 1 441.580 1.610 20 0 IDADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cncc(N3CC[NH2+]CC3)n1)CC2 ZINC001164784644 721460745 /nfs/dbraw/zinc/46/07/45/721460745.db2.gz JCPHCDXMRJZKCZ-OAQYLSRUSA-N 2 1 444.624 1.620 20 0 IDADMP O=C(c1cccnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1)N1CC[NH2+]CC1 ZINC001164906857 721542968 /nfs/dbraw/zinc/54/29/68/721542968.db2.gz LOHSHDQMNQCSHF-UYAOXDASSA-N 2 1 425.508 1.608 20 0 IDADMP O=C(c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1)N1CC[NH2+]CC1 ZINC001164906855 721543583 /nfs/dbraw/zinc/54/35/83/721543583.db2.gz LOHSHDQMNQCSHF-QUCCMNQESA-N 2 1 425.508 1.608 20 0 IDADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC[C@@H]3C2)c1 ZINC001164985565 722151190 /nfs/dbraw/zinc/15/11/90/722151190.db2.gz ZVWMZHVZKIFKNF-FGZHOGPDSA-N 2 1 438.576 1.977 20 0 IDADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[NH2+]CCO[C@@H]3C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164389452 718823717 /nfs/dbraw/zinc/82/37/17/718823717.db2.gz ILACXPAANFGIDA-LSTHTHJFSA-N 2 1 431.581 1.448 20 0 IDADMP CS(=O)(=O)c1nc2c(c(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)n1)CC[NH2+]CC2 ZINC001164626480 719052987 /nfs/dbraw/zinc/05/29/87/719052987.db2.gz RQZICHDAYVSVOK-GHTZIAJQSA-N 2 1 441.601 1.669 20 0 IDADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)C2 ZINC001164817553 720157039 /nfs/dbraw/zinc/15/70/39/720157039.db2.gz PVBBFKRDBYLZNW-FDDCHVKYSA-N 2 1 428.581 1.101 20 0 IDADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)C2 ZINC001164817553 720157044 /nfs/dbraw/zinc/15/70/44/720157044.db2.gz PVBBFKRDBYLZNW-FDDCHVKYSA-N 2 1 428.581 1.101 20 0 IDADMP Cn1nnc2c1CCN(c1cccc(N3CCC([NH3+])CC3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717130 720192910 /nfs/dbraw/zinc/19/29/10/720192910.db2.gz SKMJOVMVAJUYQD-FQEVSTJZSA-N 2 1 440.596 1.354 20 0 IDADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833444 720322654 /nfs/dbraw/zinc/32/26/54/720322654.db2.gz XGFKPNLDQLGWFB-UXHICEINSA-N 2 1 426.565 1.989 20 0 IDADMP CCc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(N2CCOCC2)[nH+]1 ZINC001164834363 720328230 /nfs/dbraw/zinc/32/82/30/720328230.db2.gz ZQTHJKKDNUYIGI-SFTDATJTSA-N 2 1 442.608 1.787 20 0 IDADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccnc(N3CC[NH+](C)CC3)n2)CC1 ZINC001164825156 720347130 /nfs/dbraw/zinc/34/71/30/720347130.db2.gz ISKSTFALBYGODI-PMACEKPBSA-N 2 1 427.597 1.140 20 0 IDADMP C[NH+]1CCN(c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)CC1 ZINC001164747657 720812943 /nfs/dbraw/zinc/81/29/43/720812943.db2.gz OUPLCJBSBFNXQN-NJDAHSKKSA-N 2 1 437.596 1.199 20 0 IDADMP Clc1nc2c(c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n1)CC[NH2+]C2 ZINC001164737394 720816307 /nfs/dbraw/zinc/81/63/07/720816307.db2.gz AUWATTQOKGLBFK-FRQCXROJSA-N 2 1 428.972 1.747 20 0 IDADMP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(OC5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164890763 721436289 /nfs/dbraw/zinc/43/62/89/721436289.db2.gz FGBVHFHRHFJFCX-REWPJTCUSA-N 2 1 430.597 1.373 20 0 IDADMP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(OC5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164890762 721436479 /nfs/dbraw/zinc/43/64/79/721436479.db2.gz FGBVHFHRHFJFCX-OFNKIYASSA-N 2 1 430.597 1.373 20 0 IDADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3c1CC[NH2+]CC3)CC2 ZINC001164785972 721450140 /nfs/dbraw/zinc/45/01/40/721450140.db2.gz KOQCQFMNQLDPCP-FQEVSTJZSA-N 2 1 429.609 1.899 20 0 IDADMP [NH3+]C1CCN(c2ccnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)CC1 ZINC001164963301 722057786 /nfs/dbraw/zinc/05/77/86/722057786.db2.gz WEORWXUEJFTGOY-UHFFFAOYSA-N 2 1 437.592 1.918 20 0 IDADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c12 ZINC001165000510 722251832 /nfs/dbraw/zinc/25/18/32/722251832.db2.gz QPNPIUJASWDELF-UHFFFAOYSA-N 2 1 427.509 1.820 20 0 IDADMP C[NH+]1CCN(Cc2cc3nc(N4CC[C@H]5[NH2+]CC[C@H]54)nc(N4CCOCC4)c3s2)CC1 ZINC001164410458 718875585 /nfs/dbraw/zinc/87/55/85/718875585.db2.gz BQEFAMZHGHAWHH-IEBWSBKVSA-N 2 1 443.621 1.216 20 0 IDADMP C[NH+]1CCN(Cc2cc3nc(N4CC[C@H]5C[C@@]5([NH3+])C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164417893 718896105 /nfs/dbraw/zinc/89/61/05/718896105.db2.gz AVUPSRIVROQLJX-KSFYIVLOSA-N 2 1 443.621 1.203 20 0 IDADMP COC(=O)C1CCN(c2nccnc2-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)CC1 ZINC001164682240 719629256 /nfs/dbraw/zinc/62/92/56/719629256.db2.gz MCGJHPWTQBBIDU-UHFFFAOYSA-N 2 1 427.553 1.538 20 0 IDADMP COC(=O)C1CCN(c2nccnc2-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)CC1 ZINC001164682240 719629266 /nfs/dbraw/zinc/62/92/66/719629266.db2.gz MCGJHPWTQBBIDU-UHFFFAOYSA-N 2 1 427.553 1.538 20 0 IDADMP COC(=O)C1CCN(c2ccc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nn2)CC1 ZINC001164684920 719629325 /nfs/dbraw/zinc/62/93/25/719629325.db2.gz YWYLXTGWCMYXQF-UHFFFAOYSA-N 2 1 427.553 1.538 20 0 IDADMP COC(=O)C1CCN(c2ccc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nn2)CC1 ZINC001164684920 719629336 /nfs/dbraw/zinc/62/93/36/719629336.db2.gz YWYLXTGWCMYXQF-UHFFFAOYSA-N 2 1 427.553 1.538 20 0 IDADMP CC(C)[N@H+](C)Cc1nn(-c2ncc(C(=O)N3CCOCC3)cc2Cl)c2c1CC[NH2+]C2 ZINC001164679595 719641055 /nfs/dbraw/zinc/64/10/55/719641055.db2.gz IIPDHUOPJGXQCA-UHFFFAOYSA-N 2 1 432.956 1.879 20 0 IDADMP CC(C)[N@@H+](C)Cc1nn(-c2ncc(C(=O)N3CCOCC3)cc2Cl)c2c1CC[NH2+]C2 ZINC001164679595 719641067 /nfs/dbraw/zinc/64/10/67/719641067.db2.gz IIPDHUOPJGXQCA-UHFFFAOYSA-N 2 1 432.956 1.879 20 0 IDADMP Clc1nc2c(c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n1)C[NH2+]CC2 ZINC001164741669 720810555 /nfs/dbraw/zinc/81/05/55/720810555.db2.gz BPOIJGVKUHCHPG-GPMSIDNRSA-N 2 1 428.972 1.747 20 0 IDADMP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)CC1 ZINC001164743091 720836550 /nfs/dbraw/zinc/83/65/50/720836550.db2.gz INLRTMANVOOWCZ-YPAWHYETSA-N 2 1 436.608 1.804 20 0 IDADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4c3CC[NH2+]CC4)C2)C1 ZINC001164778580 721331802 /nfs/dbraw/zinc/33/18/02/721331802.db2.gz XLUVLNKEFSWEIS-HSZRJFAPSA-N 2 1 426.565 1.889 20 0 IDADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4c3CC[NH2+]CC4)C2)C1 ZINC001164778580 721331806 /nfs/dbraw/zinc/33/18/06/721331806.db2.gz XLUVLNKEFSWEIS-HSZRJFAPSA-N 2 1 426.565 1.889 20 0 IDADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cncc(N4CC[NH2+]CC4)n3)C2)C1 ZINC001164778214 721352426 /nfs/dbraw/zinc/35/24/26/721352426.db2.gz LGGQVWSSPFQJGI-HSZRJFAPSA-N 2 1 441.580 1.610 20 0 IDADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cncc(N4CC[NH2+]CC4)n3)C2)C1 ZINC001164778214 721352430 /nfs/dbraw/zinc/35/24/30/721352430.db2.gz LGGQVWSSPFQJGI-HSZRJFAPSA-N 2 1 441.580 1.610 20 0 IDADMP [NH3+]C1CCN(c2cc[nH+]c(N3CCC4(CC3)C(=O)NCCN4Cc3ccccc3)n2)CC1 ZINC001164948325 721976155 /nfs/dbraw/zinc/97/61/55/721976155.db2.gz XNRKEMBSGMMUDG-UHFFFAOYSA-N 2 1 435.576 1.375 20 0 IDADMP C[NH+]1CCN(Cc2cc3nc(N4CC[C@H]5[NH2+]CC[C@@H]54)nc(N4CCOCC4)c3s2)CC1 ZINC001164410459 718875795 /nfs/dbraw/zinc/87/57/95/718875795.db2.gz BQEFAMZHGHAWHH-MJGOQNOKSA-N 2 1 443.621 1.216 20 0 IDADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCNC(=O)C45C[NH2+]C5)c23)C1 ZINC001164410573 718879060 /nfs/dbraw/zinc/87/90/60/718879060.db2.gz DGTAUCFRLZTVOT-AWEZNQCLSA-N 2 1 426.590 1.690 20 0 IDADMP C[NH+]1CCN(Cc2cc3nc(N4CC[C@@H]5C[C@]5([NH3+])C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164417895 718896004 /nfs/dbraw/zinc/89/60/04/718896004.db2.gz AVUPSRIVROQLJX-ZHRRBRCNSA-N 2 1 443.621 1.203 20 0 IDADMP COCc1nn(-c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)c2c1C[NH2+]C2 ZINC001164712783 720078857 /nfs/dbraw/zinc/07/88/57/720078857.db2.gz QEFFEFWCFDTRSF-HNNXBMFYSA-N 2 1 442.564 1.816 20 0 IDADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(N3CC[NH2+]CC3)nn1)CC2 ZINC001164709676 720102873 /nfs/dbraw/zinc/10/28/73/720102873.db2.gz CEVJIPAFIBHFDL-NRFANRHFSA-N 2 1 437.592 1.789 20 0 IDADMP Cc1nc(N2CCCC2)cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)[nH+]1 ZINC001164715627 720170328 /nfs/dbraw/zinc/17/03/28/720170328.db2.gz VJVOIBNPLHDEGU-LJQANCHMSA-N 2 1 426.569 1.730 20 0 IDADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cccc(OCC[NH+]4CCCC4)n3)C2)C1 ZINC001164721000 720274557 /nfs/dbraw/zinc/27/45/57/720274557.db2.gz HEKAAXYHLGAJHA-HSZRJFAPSA-N 2 1 431.581 1.221 20 0 IDADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cccc(OCC[NH+]4CCCC4)n3)C2)C1 ZINC001164721000 720274563 /nfs/dbraw/zinc/27/45/63/720274563.db2.gz HEKAAXYHLGAJHA-HSZRJFAPSA-N 2 1 431.581 1.221 20 0 IDADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164745899 720834908 /nfs/dbraw/zinc/83/49/08/720834908.db2.gz ODTIROIUPYBOSY-JFIYKMOQSA-N 2 1 436.520 1.715 20 0 IDADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164745899 720834910 /nfs/dbraw/zinc/83/49/10/720834910.db2.gz ODTIROIUPYBOSY-JFIYKMOQSA-N 2 1 436.520 1.715 20 0 IDADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)CC2)C1 ZINC001164872469 721281796 /nfs/dbraw/zinc/28/17/96/721281796.db2.gz DUNYZTULBVOJSR-UHFFFAOYSA-N 3 1 430.597 1.016 20 0 IDADMP CN(C)C(=O)CN1CCOCC2(CCN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)CC2)C1 ZINC001164872469 721281805 /nfs/dbraw/zinc/28/18/05/721281805.db2.gz DUNYZTULBVOJSR-UHFFFAOYSA-N 2 1 430.597 1.016 20 0 IDADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(OCC5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164896673 721444310 /nfs/dbraw/zinc/44/43/10/721444310.db2.gz RSMBFANVZMCAFE-ZJSXRUAMSA-N 2 1 444.624 1.620 20 0 IDADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)N2CC[NH2+]CC2)[C@@H]2CCCO[C@@H]12 ZINC001164801802 721565134 /nfs/dbraw/zinc/56/51/34/721565134.db2.gz HGPUFADMGFYVEB-YPAWHYETSA-N 2 1 436.560 1.390 20 0 IDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)N2CC[NH2+]CC2)[C@@H]2CCCO[C@@H]12 ZINC001164801802 721565136 /nfs/dbraw/zinc/56/51/36/721565136.db2.gz HGPUFADMGFYVEB-YPAWHYETSA-N 2 1 436.560 1.390 20 0 IDADMP C[NH+]1CCN(c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nn2)CC1 ZINC001164958873 722053106 /nfs/dbraw/zinc/05/31/06/722053106.db2.gz HGYZBXXIPWNDQY-UHFFFAOYSA-N 2 1 437.592 1.742 20 0 IDADMP CCOC(=O)c1cnc(N2CCOCC2)nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683577 719631298 /nfs/dbraw/zinc/63/12/98/719631298.db2.gz TTXVDRCSZAFSOY-UHFFFAOYSA-N 2 1 443.552 1.162 20 0 IDADMP CCOC(=O)c1cnc(N2CCOCC2)nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683577 719631304 /nfs/dbraw/zinc/63/13/04/719631304.db2.gz TTXVDRCSZAFSOY-UHFFFAOYSA-N 2 1 443.552 1.162 20 0 IDADMP CCOC(=O)[C@H]1CCCN(c2ccc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nn2)C1 ZINC001164679754 719640839 /nfs/dbraw/zinc/64/08/39/719640839.db2.gz LXPOSGUDIUIILB-KRWDZBQOSA-N 2 1 441.580 1.928 20 0 IDADMP CCOC(=O)[C@H]1CCCN(c2ccc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nn2)C1 ZINC001164679754 719640858 /nfs/dbraw/zinc/64/08/58/719640858.db2.gz LXPOSGUDIUIILB-KRWDZBQOSA-N 2 1 441.580 1.928 20 0 IDADMP CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(N3CCC(C(=O)OC)CC3)cc[nH+]1)CC2 ZINC001164686618 719731708 /nfs/dbraw/zinc/73/17/08/719731708.db2.gz QFSXAQIGISEEAX-UHFFFAOYSA-N 2 1 430.553 1.047 20 0 IDADMP CNC(=O)C[N@H+]1CCCC12CCN(c1nc(N3CCC(C(=O)OC)CC3)cc[nH+]1)CC2 ZINC001164686618 719731713 /nfs/dbraw/zinc/73/17/13/719731713.db2.gz QFSXAQIGISEEAX-UHFFFAOYSA-N 2 1 430.553 1.047 20 0 IDADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c12 ZINC001164719859 720186734 /nfs/dbraw/zinc/18/67/34/720186734.db2.gz XLWKYPJJYOWDGM-MRXNPFEDSA-N 2 1 440.508 1.089 20 0 IDADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(OC3CC[NH2+]CC3)nn1)CCC2 ZINC001164812862 720238816 /nfs/dbraw/zinc/23/88/16/720238816.db2.gz JILHRWNMTWMPKL-UHFFFAOYSA-N 2 1 427.553 1.415 20 0 IDADMP Clc1nc2c(c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n1)CC[NH2+]C2 ZINC001164737395 720816223 /nfs/dbraw/zinc/81/62/23/720816223.db2.gz AUWATTQOKGLBFK-GPMSIDNRSA-N 2 1 428.972 1.747 20 0 IDADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164745905 720834840 /nfs/dbraw/zinc/83/48/40/720834840.db2.gz ODTIROIUPYBOSY-SOLBZPMBSA-N 2 1 436.520 1.715 20 0 IDADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164745905 720834845 /nfs/dbraw/zinc/83/48/45/720834845.db2.gz ODTIROIUPYBOSY-SOLBZPMBSA-N 2 1 436.520 1.715 20 0 IDADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)[C@@H]2C ZINC001164859827 720923377 /nfs/dbraw/zinc/92/33/77/720923377.db2.gz QCJJZQYRBZGDBU-OAHLLOKOSA-N 2 1 447.609 1.186 20 0 IDADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(N4CC[NH2+]CC4)nn3)C2)C1 ZINC001164778200 721339409 /nfs/dbraw/zinc/33/94/09/721339409.db2.gz KRECMERJGLQHMT-HSZRJFAPSA-N 2 1 441.580 1.610 20 0 IDADMP C[NH+]1CCN(Cc2cc3nc(N4CCC[C@@H]5[NH2+]C[C@H]54)nc(N4CCOCC4)c3s2)CC1 ZINC001164450358 718999527 /nfs/dbraw/zinc/99/95/27/718999527.db2.gz VDJODPNMNWOSOJ-PKOBYXMFSA-N 2 1 443.621 1.216 20 0 IDADMP C[N@H+]1CCO[C@@H]2CN(c3nccc(NC(=O)C(C)(C)C)c3C[NH+]3CC[C@@H](CO)C3)C[C@H]21 ZINC001164667406 719417935 /nfs/dbraw/zinc/41/79/35/719417935.db2.gz FNRFENGMFUWKJP-NSISKUIASA-N 2 1 431.581 1.400 20 0 IDADMP C[NH+]1CCO[C@@H]2CN(c3nccc(NC(=O)C(C)(C)C)c3C[N@@H+]3CC[C@@H](CO)C3)C[C@H]21 ZINC001164667406 719417938 /nfs/dbraw/zinc/41/79/38/719417938.db2.gz FNRFENGMFUWKJP-NSISKUIASA-N 2 1 431.581 1.400 20 0 IDADMP C[NH+]1CCO[C@@H]2CN(c3nccc(NC(=O)C(C)(C)C)c3C[N@H+]3CC[C@@H](CO)C3)C[C@H]21 ZINC001164667406 719417948 /nfs/dbraw/zinc/41/79/48/719417948.db2.gz FNRFENGMFUWKJP-NSISKUIASA-N 2 1 431.581 1.400 20 0 IDADMP COC(=O)C1CCN(c2ccnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)n2)CC1 ZINC001164684642 719631467 /nfs/dbraw/zinc/63/14/67/719631467.db2.gz VRACOYGVOQZXDN-UHFFFAOYSA-N 2 1 427.553 1.538 20 0 IDADMP COC(=O)C1CCN(c2ccnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)n2)CC1 ZINC001164684642 719631472 /nfs/dbraw/zinc/63/14/72/719631472.db2.gz VRACOYGVOQZXDN-UHFFFAOYSA-N 2 1 427.553 1.538 20 0 IDADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cc(S(N)(=O)=O)cnc2Cl)c2c1CC[NH2+]C2 ZINC001164680620 719634576 /nfs/dbraw/zinc/63/45/76/719634576.db2.gz YTNZICFJYCTEEU-UHFFFAOYSA-N 2 1 448.927 1.662 20 0 IDADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cc(S(N)(=O)=O)cnc2Cl)c2c1CC[NH2+]C2 ZINC001164680620 719634584 /nfs/dbraw/zinc/63/45/84/719634584.db2.gz YTNZICFJYCTEEU-UHFFFAOYSA-N 2 1 448.927 1.662 20 0 IDADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(S(=O)(=O)N3CCCCC3)cn2)c2c1CC[NH2+]C2 ZINC001164680173 719638202 /nfs/dbraw/zinc/63/82/02/719638202.db2.gz RETNCALAMUBOQF-UHFFFAOYSA-N 2 1 432.594 1.928 20 0 IDADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(S(=O)(=O)N3CCCCC3)cn2)c2c1CC[NH2+]C2 ZINC001164680173 719638207 /nfs/dbraw/zinc/63/82/07/719638207.db2.gz RETNCALAMUBOQF-UHFFFAOYSA-N 2 1 432.594 1.928 20 0 IDADMP COCc1nn(-c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@@H](CO)C2)c2c1C[NH2+]C2 ZINC001164712784 720078663 /nfs/dbraw/zinc/07/86/63/720078663.db2.gz QEFFEFWCFDTRSF-OAHLLOKOSA-N 2 1 442.564 1.816 20 0 IDADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cccc(N3CCC([NH3+])CC3)n2)CC1 ZINC001164823934 720332320 /nfs/dbraw/zinc/33/23/20/720332320.db2.gz BSFJTEUFZAMMSH-RTWAWAEBSA-N 2 1 426.609 1.921 20 0 IDADMP [NH3+]C1CCN(c2cccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH+]2)CC1 ZINC001164751836 720841608 /nfs/dbraw/zinc/84/16/08/720841608.db2.gz ZBJPPKJSOUADTO-ILWGZMRPSA-N 3 1 436.608 1.980 20 0 IDADMP [NH3+]C1CCN(c2cccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)CC1 ZINC001164751836 720841609 /nfs/dbraw/zinc/84/16/09/720841609.db2.gz ZBJPPKJSOUADTO-ILWGZMRPSA-N 2 1 436.608 1.980 20 0 IDADMP [NH3+]C1CCN(c2cccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)CC1 ZINC001164751836 720841612 /nfs/dbraw/zinc/84/16/12/720841612.db2.gz ZBJPPKJSOUADTO-ILWGZMRPSA-N 2 1 436.608 1.980 20 0 IDADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)[C@@H]2C ZINC001164858028 720995297 /nfs/dbraw/zinc/99/52/97/720995297.db2.gz GIMFNRKBYZELBU-MRXNPFEDSA-N 2 1 426.569 1.534 20 0 IDADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)[C@@H]2C ZINC001164858028 720995302 /nfs/dbraw/zinc/99/53/02/720995302.db2.gz GIMFNRKBYZELBU-MRXNPFEDSA-N 2 1 426.569 1.534 20 0 IDADMP O=C(c1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1)N1CC[NH2+]CC1 ZINC001164976094 722128889 /nfs/dbraw/zinc/12/88/89/722128889.db2.gz HBBLKZZDOJVFRS-IRLDBZIGSA-N 2 1 436.560 1.249 20 0 IDADMP C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(OCC4CC[NH2+]CC4)cn2)CC3)CC1 ZINC001165001491 722239985 /nfs/dbraw/zinc/23/99/85/722239985.db2.gz HCUOGCAYOZAEJN-UHFFFAOYSA-N 2 1 437.592 1.607 20 0 IDADMP CCc1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc(N2CCOCC2)[nH+]1 ZINC001165001793 722254892 /nfs/dbraw/zinc/25/48/92/722254892.db2.gz FZZAMAJHOJQUNA-UHFFFAOYSA-N 2 1 429.569 1.561 20 0 IDADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164389453 718823494 /nfs/dbraw/zinc/82/34/94/718823494.db2.gz ILACXPAANFGIDA-UXPWSPDFSA-N 2 1 431.581 1.448 20 0 IDADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[NH2+]CCO[C@@H]3C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164389451 718823811 /nfs/dbraw/zinc/82/38/11/718823811.db2.gz ILACXPAANFGIDA-FFZOFVMBSA-N 2 1 431.581 1.448 20 0 IDADMP C[NH+]1CCN(Cc2cc3nc(N4CC[C@@H]5[NH2+]CC[C@H]54)nc(N4CCOCC4)c3s2)CC1 ZINC001164410460 718875598 /nfs/dbraw/zinc/87/55/98/718875598.db2.gz BQEFAMZHGHAWHH-PKOBYXMFSA-N 2 1 443.621 1.216 20 0 IDADMP C[NH+]1CCN(Cc2cc3nc(N4CCC[C@H]5[NH2+]C[C@H]54)nc(N4CCOCC4)c3s2)CC1 ZINC001164450356 718999251 /nfs/dbraw/zinc/99/92/51/718999251.db2.gz VDJODPNMNWOSOJ-IEBWSBKVSA-N 2 1 443.621 1.216 20 0 IDADMP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ccnc(N3CC[NH+](C)CC3)n1)C2 ZINC001164616806 719011261 /nfs/dbraw/zinc/01/12/61/719011261.db2.gz LOXZEWJZNXXODQ-MBSDFSHPSA-N 2 1 428.581 1.378 20 0 IDADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ccnc(N3CC[NH+](C)CC3)n1)C2 ZINC001164616799 719011369 /nfs/dbraw/zinc/01/13/69/719011369.db2.gz LOXZEWJZNXXODQ-FDDCHVKYSA-N 2 1 428.581 1.378 20 0 IDADMP CCOC(=O)C1CCN(c2ccc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nn2)CC1 ZINC001164683390 719630620 /nfs/dbraw/zinc/63/06/20/719630620.db2.gz SGKQIPSGTAXGFM-UHFFFAOYSA-N 2 1 441.580 1.928 20 0 IDADMP CCOC(=O)C1CCN(c2ccc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nn2)CC1 ZINC001164683390 719630623 /nfs/dbraw/zinc/63/06/23/719630623.db2.gz SGKQIPSGTAXGFM-UHFFFAOYSA-N 2 1 441.580 1.928 20 0 IDADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(CN3C(=O)NC(C)(C)C3=O)cn2)c2c1CC[NH2+]C2 ZINC001164679785 719640689 /nfs/dbraw/zinc/64/06/89/719640689.db2.gz MYXLXACHEGCEGL-UHFFFAOYSA-N 2 1 425.537 1.584 20 0 IDADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(CN3C(=O)NC(C)(C)C3=O)cn2)c2c1CC[NH2+]C2 ZINC001164679785 719640700 /nfs/dbraw/zinc/64/07/00/719640700.db2.gz MYXLXACHEGCEGL-UHFFFAOYSA-N 2 1 425.537 1.584 20 0 IDADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(N3CC[NH2+]CC3)nn1)CC2 ZINC001164709677 720103388 /nfs/dbraw/zinc/10/33/88/720103388.db2.gz CEVJIPAFIBHFDL-OAQYLSRUSA-N 2 1 437.592 1.789 20 0 IDADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ncccc3C(=O)N3CC[NH2+]CC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837269 720568962 /nfs/dbraw/zinc/56/89/62/720568962.db2.gz LNYQJVRYSRXPRI-RZUBCFFCSA-N 2 1 437.592 1.701 20 0 IDADMP C[NH+]1CCN(c2nccc(N3CCn4c(-c5cccnc5)cnc4C34CC[NH2+]CC4)n2)CC1 ZINC001164845288 720743661 /nfs/dbraw/zinc/74/36/61/720743661.db2.gz ZAEPOWMJMOCYPI-UHFFFAOYSA-N 2 1 445.575 1.586 20 0 IDADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164745902 720834688 /nfs/dbraw/zinc/83/46/88/720834688.db2.gz ODTIROIUPYBOSY-LZLYRXPVSA-N 2 1 436.520 1.715 20 0 IDADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164745902 720834690 /nfs/dbraw/zinc/83/46/90/720834690.db2.gz ODTIROIUPYBOSY-LZLYRXPVSA-N 2 1 436.520 1.715 20 0 IDADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc(OCC4CC[NH2+]CC4)cn3)CC2)C1 ZINC001164876645 721292314 /nfs/dbraw/zinc/29/23/14/721292314.db2.gz KTJMPRAONPSSMI-UHFFFAOYSA-N 2 1 445.608 1.467 20 0 IDADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)N2CC[NH2+]CC2)[C@H]2CCCO[C@@H]12 ZINC001164801796 721565823 /nfs/dbraw/zinc/56/58/23/721565823.db2.gz HGPUFADMGFYVEB-BHDDXSALSA-N 2 1 436.560 1.390 20 0 IDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)N2CC[NH2+]CC2)[C@H]2CCCO[C@@H]12 ZINC001164801796 721565824 /nfs/dbraw/zinc/56/58/24/721565824.db2.gz HGPUFADMGFYVEB-BHDDXSALSA-N 2 1 436.560 1.390 20 0 IDADMP C[N@H+]1CCO[C@@H]2CN(c3nccc(NC(=O)C(C)(C)C)c3C[NH+]3CC[C@H](CO)C3)C[C@H]21 ZINC001164667407 719419866 /nfs/dbraw/zinc/41/98/66/719419866.db2.gz FNRFENGMFUWKJP-PWIZWCRZSA-N 2 1 431.581 1.400 20 0 IDADMP C[NH+]1CCO[C@@H]2CN(c3nccc(NC(=O)C(C)(C)C)c3C[N@@H+]3CC[C@H](CO)C3)C[C@H]21 ZINC001164667407 719419870 /nfs/dbraw/zinc/41/98/70/719419870.db2.gz FNRFENGMFUWKJP-PWIZWCRZSA-N 2 1 431.581 1.400 20 0 IDADMP C[NH+]1CCO[C@@H]2CN(c3nccc(NC(=O)C(C)(C)C)c3C[N@H+]3CC[C@H](CO)C3)C[C@H]21 ZINC001164667407 719419874 /nfs/dbraw/zinc/41/98/74/719419874.db2.gz FNRFENGMFUWKJP-PWIZWCRZSA-N 2 1 431.581 1.400 20 0 IDADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)C2 ZINC001164817557 720157101 /nfs/dbraw/zinc/15/71/01/720157101.db2.gz PVBBFKRDBYLZNW-MBSDFSHPSA-N 2 1 428.581 1.101 20 0 IDADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)C2 ZINC001164817557 720157106 /nfs/dbraw/zinc/15/71/06/720157106.db2.gz PVBBFKRDBYLZNW-MBSDFSHPSA-N 2 1 428.581 1.101 20 0 IDADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833443 720322616 /nfs/dbraw/zinc/32/26/16/720322616.db2.gz XGFKPNLDQLGWFB-PMACEKPBSA-N 2 1 426.565 1.989 20 0 IDADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164834383 720325010 /nfs/dbraw/zinc/32/50/10/720325010.db2.gz ZSFQUFQBTXNJDX-IAGOWNOFSA-N 2 1 426.521 1.656 20 0 IDADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164834385 720325307 /nfs/dbraw/zinc/32/53/07/720325307.db2.gz ZSFQUFQBTXNJDX-IRXDYDNUSA-N 2 1 426.521 1.656 20 0 IDADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)CC2)C1 ZINC001164872889 721282893 /nfs/dbraw/zinc/28/28/93/721282893.db2.gz HGSMBRXSTVQADF-UHFFFAOYSA-N 2 1 445.608 1.563 20 0 IDADMP CCOC(=O)c1c[nH]c2cc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)[nH+]cc21 ZINC001164875586 721284263 /nfs/dbraw/zinc/28/42/63/721284263.db2.gz XKQWVGNQWCBVFT-UHFFFAOYSA-N 2 1 443.548 1.747 20 0 IDADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4c3CC[NH2+]CC4)C2)C1 ZINC001164778588 721332100 /nfs/dbraw/zinc/33/21/00/721332100.db2.gz XLUVLNKEFSWEIS-QHCPKHFHSA-N 2 1 426.565 1.889 20 0 IDADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4c3CC[NH2+]CC4)C2)C1 ZINC001164778588 721332108 /nfs/dbraw/zinc/33/21/08/721332108.db2.gz XLUVLNKEFSWEIS-QHCPKHFHSA-N 2 1 426.565 1.889 20 0 IDADMP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(OC5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164890761 721436654 /nfs/dbraw/zinc/43/66/54/721436654.db2.gz FGBVHFHRHFJFCX-NZQKXSOJSA-N 2 1 430.597 1.373 20 0 IDADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164389454 718823563 /nfs/dbraw/zinc/82/35/63/718823563.db2.gz ILACXPAANFGIDA-VDGAXYAQSA-N 2 1 431.581 1.448 20 0 IDADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(N3CC[NH+](C)CC3)nn1)CCC2 ZINC001164810281 720213291 /nfs/dbraw/zinc/21/32/91/720213291.db2.gz AZBOFRHMKUDRAA-UHFFFAOYSA-N 2 1 426.569 1.036 20 0 IDADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cccc(N3CC[NH+](C)CC3)n1)CCC2 ZINC001164813903 720228789 /nfs/dbraw/zinc/22/87/89/720228789.db2.gz RHZXNEGYHWDGDB-UHFFFAOYSA-N 2 1 425.581 1.641 20 0 IDADMP CCc1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc(N2CCOCC2)[nH+]1 ZINC001164814037 720229640 /nfs/dbraw/zinc/22/96/40/720229640.db2.gz UBAYLCPBTFQGHY-UHFFFAOYSA-N 2 1 441.580 1.683 20 0 IDADMP CCc1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc(N2CCOCC2)[nH+]1 ZINC001164814037 720229648 /nfs/dbraw/zinc/22/96/48/720229648.db2.gz UBAYLCPBTFQGHY-UHFFFAOYSA-N 2 1 441.580 1.683 20 0 IDADMP O=C(c1nn(-c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)c2c1C[NH2+]C2)N1CCOCC1 ZINC001164818563 720248200 /nfs/dbraw/zinc/24/82/00/720248200.db2.gz ZLOCIGOYEHSNSR-UHFFFAOYSA-N 2 1 444.539 1.901 20 0 IDADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(N3CCC([NH3+])CC3)cc[nH+]2)CC1 ZINC001164829756 720328528 /nfs/dbraw/zinc/32/85/28/720328528.db2.gz NJWLOUZNFBVKPF-WOJBJXKFSA-N 3 1 427.597 1.316 20 0 IDADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(N3CCC([NH3+])CC3)cc[nH+]2)CC1 ZINC001164829752 720328668 /nfs/dbraw/zinc/32/86/68/720328668.db2.gz NJWLOUZNFBVKPF-UXHICEINSA-N 3 1 427.597 1.316 20 0 IDADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cccc(N3CCC([NH3+])CC3)n2)CC1 ZINC001164823930 720332536 /nfs/dbraw/zinc/33/25/36/720332536.db2.gz BSFJTEUFZAMMSH-LEWJYISDSA-N 2 1 426.609 1.921 20 0 IDADMP C[NH+]1CCN(c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)CC1 ZINC001164747658 720812571 /nfs/dbraw/zinc/81/25/71/720812571.db2.gz OUPLCJBSBFNXQN-PCCBWWKXSA-N 2 1 437.596 1.199 20 0 IDADMP Clc1nc2c(c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n1)CC[NH2+]C2 ZINC001164737396 720816113 /nfs/dbraw/zinc/81/61/13/720816113.db2.gz AUWATTQOKGLBFK-JTDSTZFVSA-N 2 1 428.972 1.747 20 0 IDADMP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)CC1 ZINC001164743090 720836819 /nfs/dbraw/zinc/83/68/19/720836819.db2.gz INLRTMANVOOWCZ-FDFHNCONSA-N 2 1 436.608 1.804 20 0 IDADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)[C@H]2C ZINC001164858026 720995912 /nfs/dbraw/zinc/99/59/12/720995912.db2.gz GIMFNRKBYZELBU-INIZCTEOSA-N 2 1 426.569 1.534 20 0 IDADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)[C@H]2C ZINC001164858026 720995928 /nfs/dbraw/zinc/99/59/28/720995928.db2.gz GIMFNRKBYZELBU-INIZCTEOSA-N 2 1 426.569 1.534 20 0 IDADMP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(OCC5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164896660 721444331 /nfs/dbraw/zinc/44/43/31/721444331.db2.gz RSMBFANVZMCAFE-QPPBQGQZSA-N 2 1 444.624 1.620 20 0 IDADMP c1cncc(C[N@@H+]2CCC3(C2)CCN(c2nc4c(c(N5CCOCC5)n2)C[NH2+]C4)CC3)c1 ZINC001164956044 722021249 /nfs/dbraw/zinc/02/12/49/722021249.db2.gz VAVSXFDALFGCBT-UHFFFAOYSA-N 2 1 435.576 1.804 20 0 IDADMP c1cncc(C[N@H+]2CCC3(C2)CCN(c2nc4c(c(N5CCOCC5)n2)C[NH2+]C4)CC3)c1 ZINC001164956044 722021252 /nfs/dbraw/zinc/02/12/52/722021252.db2.gz VAVSXFDALFGCBT-UHFFFAOYSA-N 2 1 435.576 1.804 20 0 IDADMP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)C2 ZINC001164817555 720156334 /nfs/dbraw/zinc/15/63/34/720156334.db2.gz PVBBFKRDBYLZNW-JPYJTQIMSA-N 2 1 428.581 1.101 20 0 IDADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)C2 ZINC001164817555 720156339 /nfs/dbraw/zinc/15/63/39/720156339.db2.gz PVBBFKRDBYLZNW-JPYJTQIMSA-N 2 1 428.581 1.101 20 0 IDADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)C2 ZINC001164817559 720156967 /nfs/dbraw/zinc/15/69/67/720156967.db2.gz PVBBFKRDBYLZNW-WZONZLPQSA-N 2 1 428.581 1.101 20 0 IDADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)C2 ZINC001164817559 720156971 /nfs/dbraw/zinc/15/69/71/720156971.db2.gz PVBBFKRDBYLZNW-WZONZLPQSA-N 2 1 428.581 1.101 20 0 IDADMP Cc1nc(N2CCCC2)cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)[nH+]1 ZINC001164715625 720170234 /nfs/dbraw/zinc/17/02/34/720170234.db2.gz VJVOIBNPLHDEGU-IBGZPJMESA-N 2 1 426.569 1.730 20 0 IDADMP Cn1nnc2c1CCN(c1cccc(N3CCC([NH3+])CC3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717131 720192532 /nfs/dbraw/zinc/19/25/32/720192532.db2.gz SKMJOVMVAJUYQD-HXUWFJFHSA-N 2 1 440.596 1.354 20 0 IDADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833445 720322346 /nfs/dbraw/zinc/32/23/46/720322346.db2.gz XGFKPNLDQLGWFB-VQTJNVASSA-N 2 1 426.565 1.989 20 0 IDADMP CCc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(N2CCOCC2)[nH+]1 ZINC001164834357 720327929 /nfs/dbraw/zinc/32/79/29/720327929.db2.gz ZQTHJKKDNUYIGI-LEWJYISDSA-N 2 1 442.608 1.787 20 0 IDADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(N3CCC([NH3+])CC3)cc[nH+]2)CC1 ZINC001164829754 720329016 /nfs/dbraw/zinc/32/90/16/720329016.db2.gz NJWLOUZNFBVKPF-VQTJNVASSA-N 3 1 427.597 1.316 20 0 IDADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccnc(N3CC[NH+](C)CC3)n2)CC1 ZINC001164825160 720346928 /nfs/dbraw/zinc/34/69/28/720346928.db2.gz ISKSTFALBYGODI-VQTJNVASSA-N 2 1 427.597 1.140 20 0 IDADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncccc3C(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC001164837272 720568336 /nfs/dbraw/zinc/56/83/36/720568336.db2.gz LNYQJVRYSRXPRI-URVUXULASA-N 2 1 437.592 1.701 20 0 IDADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(N3CC[NH2+]CC3)nn1)CC2 ZINC001164790218 721453702 /nfs/dbraw/zinc/45/37/02/721453702.db2.gz XLLYBNGDIVEIFN-NRFANRHFSA-N 2 1 444.624 1.620 20 0 IDADMP O=C(c1cccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1)N1CC[NH2+]CC1 ZINC001164976095 722129278 /nfs/dbraw/zinc/12/92/78/722129278.db2.gz HBBLKZZDOJVFRS-RBBKRZOGSA-N 2 1 436.560 1.249 20 0 IDADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC[C@@H]3C2)c1 ZINC001164985569 722150827 /nfs/dbraw/zinc/15/08/27/722150827.db2.gz ZVWMZHVZKIFKNF-YADHBBJMSA-N 2 1 438.576 1.977 20 0 IDADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCNC(=O)C45C[NH2+]C5)c23)C1 ZINC001164410574 718879098 /nfs/dbraw/zinc/87/90/98/718879098.db2.gz DGTAUCFRLZTVOT-CQSZACIVSA-N 2 1 426.590 1.690 20 0 IDADMP CCOC(=O)C1CC[NH+](C2CCN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)CC2)CC1 ZINC001164616978 719030899 /nfs/dbraw/zinc/03/08/99/719030899.db2.gz GQVCFASFWFVAHT-UHFFFAOYSA-N 2 1 444.580 1.160 20 0 IDADMP C[N@H+]1CCO[C@@H]2CN(c3nccc(NC(=O)C(C)(C)C)c3C[NH+]3CC[C@@H](CO)C3)C[C@@H]21 ZINC001164667405 719417653 /nfs/dbraw/zinc/41/76/53/719417653.db2.gz FNRFENGMFUWKJP-LSTHTHJFSA-N 2 1 431.581 1.400 20 0 IDADMP C[NH+]1CCO[C@@H]2CN(c3nccc(NC(=O)C(C)(C)C)c3C[N@@H+]3CC[C@@H](CO)C3)C[C@@H]21 ZINC001164667405 719417655 /nfs/dbraw/zinc/41/76/55/719417655.db2.gz FNRFENGMFUWKJP-LSTHTHJFSA-N 2 1 431.581 1.400 20 0 IDADMP C[NH+]1CCO[C@@H]2CN(c3nccc(NC(=O)C(C)(C)C)c3C[N@H+]3CC[C@@H](CO)C3)C[C@@H]21 ZINC001164667405 719417657 /nfs/dbraw/zinc/41/76/57/719417657.db2.gz FNRFENGMFUWKJP-LSTHTHJFSA-N 2 1 431.581 1.400 20 0 IDADMP CC(C)[N@H+](C)Cc1nn(-c2nc(N3CCCC3)nc(N3CCCC3)n2)c2c1CC[NH2+]C2 ZINC001164679761 719639021 /nfs/dbraw/zinc/63/90/21/719639021.db2.gz MKRHDVQWRSQVOA-UHFFFAOYSA-N 2 1 425.585 1.744 20 0 IDADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(N3CCCC3)nc(N3CCCC3)n2)c2c1CC[NH2+]C2 ZINC001164679761 719639029 /nfs/dbraw/zinc/63/90/29/719639029.db2.gz MKRHDVQWRSQVOA-UHFFFAOYSA-N 2 1 425.585 1.744 20 0 IDADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cccc(OCC[NH+]4CCCC4)n3)C2)C1 ZINC001164721001 720275316 /nfs/dbraw/zinc/27/53/16/720275316.db2.gz HEKAAXYHLGAJHA-QHCPKHFHSA-N 2 1 431.581 1.221 20 0 IDADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cccc(OCC[NH+]4CCCC4)n3)C2)C1 ZINC001164721001 720275325 /nfs/dbraw/zinc/27/53/25/720275325.db2.gz HEKAAXYHLGAJHA-QHCPKHFHSA-N 2 1 431.581 1.221 20 0 IDADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164834387 720324908 /nfs/dbraw/zinc/32/49/08/720324908.db2.gz ZSFQUFQBTXNJDX-SJORKVTESA-N 2 1 426.521 1.656 20 0 IDADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccnc(N3CC[NH+](C)CC3)n2)CC1 ZINC001164825158 720346857 /nfs/dbraw/zinc/34/68/57/720346857.db2.gz ISKSTFALBYGODI-UXHICEINSA-N 2 1 427.597 1.140 20 0 IDADMP Clc1nc2c(c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n1)C[NH2+]CC2 ZINC001164741671 720810291 /nfs/dbraw/zinc/81/02/91/720810291.db2.gz BPOIJGVKUHCHPG-JTDSTZFVSA-N 2 1 428.972 1.747 20 0 IDADMP C[NH+]1CCN(c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)CC1 ZINC001164747661 720812795 /nfs/dbraw/zinc/81/27/95/720812795.db2.gz OUPLCJBSBFNXQN-QHAWAJNXSA-N 2 1 437.596 1.199 20 0 IDADMP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)CC1 ZINC001164743087 720837102 /nfs/dbraw/zinc/83/71/02/720837102.db2.gz INLRTMANVOOWCZ-BHDDXSALSA-N 2 1 436.608 1.804 20 0 IDADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)[C@H]2C ZINC001164859821 720922058 /nfs/dbraw/zinc/92/20/58/720922058.db2.gz QCJJZQYRBZGDBU-HNNXBMFYSA-N 2 1 447.609 1.186 20 0 IDADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(N4CC[NH2+]CC4)nn3)C2)C1 ZINC001164778201 721339694 /nfs/dbraw/zinc/33/96/94/721339694.db2.gz KRECMERJGLQHMT-QHCPKHFHSA-N 2 1 441.580 1.610 20 0 IDADMP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(OCC5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164896668 721443984 /nfs/dbraw/zinc/44/39/84/721443984.db2.gz RSMBFANVZMCAFE-XUZZJYLKSA-N 2 1 444.624 1.620 20 0 IDADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cncc(N3CC[NH2+]CC3)n1)CC2 ZINC001164784641 721461052 /nfs/dbraw/zinc/46/10/52/721461052.db2.gz JCPHCDXMRJZKCZ-NRFANRHFSA-N 2 1 444.624 1.620 20 0 IDADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)N2CC[NH2+]CC2)[C@@H]2CCCO[C@@H]21 ZINC001164801799 721564939 /nfs/dbraw/zinc/56/49/39/721564939.db2.gz HGPUFADMGFYVEB-VSKRKVRLSA-N 2 1 436.560 1.390 20 0 IDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)N2CC[NH2+]CC2)[C@@H]2CCCO[C@@H]21 ZINC001164801799 721564943 /nfs/dbraw/zinc/56/49/43/721564943.db2.gz HGPUFADMGFYVEB-VSKRKVRLSA-N 2 1 436.560 1.390 20 0 IDADMP Cn1ccc(CN2CCOCC23CCN(c2nc(N4CCC([NH3+])CC4)cc[nH+]2)CC3)n1 ZINC001164935564 721906579 /nfs/dbraw/zinc/90/65/79/721906579.db2.gz FZSRAXIMYHDVIP-UHFFFAOYSA-N 2 1 426.569 1.009 20 0 IDADMP C[NH+]1CCN(c2nccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)CC1 ZINC001164961763 722060996 /nfs/dbraw/zinc/06/09/96/722060996.db2.gz PBHCHTKTDQJSDK-UHFFFAOYSA-N 2 1 437.592 1.742 20 0 IDADMP C[NH+]1CCN(c2nccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)CC1 ZINC001164961763 722060999 /nfs/dbraw/zinc/06/09/99/722060999.db2.gz PBHCHTKTDQJSDK-UHFFFAOYSA-N 2 1 437.592 1.742 20 0 IDADMP O=C(c1cccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1)N1CC[NH2+]CC1 ZINC001164976096 722129096 /nfs/dbraw/zinc/12/90/96/722129096.db2.gz HBBLKZZDOJVFRS-UNMCSNQZSA-N 2 1 436.560 1.249 20 0 IDADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC[C@H]3C2)c1 ZINC001164985564 722150861 /nfs/dbraw/zinc/15/08/61/722150861.db2.gz ZVWMZHVZKIFKNF-FCHUYYIVSA-N 2 1 438.576 1.977 20 0 IDADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCNC(=O)C35C[NH2+]C5)n2)CCC4)CC1 ZINC001164410950 718879023 /nfs/dbraw/zinc/87/90/23/718879023.db2.gz KAHGTNWZYCBDIA-UHFFFAOYSA-N 2 1 426.590 1.690 20 0 IDADMP C[NH+]1CCN(Cc2cc3nc(N4CCC[C@@H]5[NH2+]C[C@@H]54)nc(N4CCOCC4)c3s2)CC1 ZINC001164450355 718999345 /nfs/dbraw/zinc/99/93/45/718999345.db2.gz VDJODPNMNWOSOJ-HKUYNNGSSA-N 2 1 443.621 1.216 20 0 IDADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ccnc(N3CC[NH+](C)CC3)n1)C2 ZINC001164616810 719011200 /nfs/dbraw/zinc/01/12/00/719011200.db2.gz LOXZEWJZNXXODQ-WZONZLPQSA-N 2 1 428.581 1.378 20 0 IDADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(OCC3CC[NH2+]CC3)nn1)CCC2 ZINC001164816760 720242654 /nfs/dbraw/zinc/24/26/54/720242654.db2.gz MHMBPZHGKZQBQM-UHFFFAOYSA-N 2 1 441.580 1.662 20 0 IDADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(OC5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164890760 721436395 /nfs/dbraw/zinc/43/63/95/721436395.db2.gz FGBVHFHRHFJFCX-NFBKMPQASA-N 2 1 430.597 1.373 20 0 IDADMP O=C(c1cccnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1)N1CC[NH2+]CC1 ZINC001164906849 721542847 /nfs/dbraw/zinc/54/28/47/721542847.db2.gz LOHSHDQMNQCSHF-AZUAARDMSA-N 2 1 425.508 1.608 20 0 IDADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)N2CC[NH2+]CC2)[C@H]2CCCO[C@H]12 ZINC001164801794 721565078 /nfs/dbraw/zinc/56/50/78/721565078.db2.gz HGPUFADMGFYVEB-BDTNDASRSA-N 2 1 436.560 1.390 20 0 IDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)N2CC[NH2+]CC2)[C@H]2CCCO[C@H]12 ZINC001164801794 721565083 /nfs/dbraw/zinc/56/50/83/721565083.db2.gz HGPUFADMGFYVEB-BDTNDASRSA-N 2 1 436.560 1.390 20 0 IDADMP O=C(c1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1)N1CC[NH2+]CC1 ZINC001164976092 722129164 /nfs/dbraw/zinc/12/91/64/722129164.db2.gz HBBLKZZDOJVFRS-IFMALSPDSA-N 2 1 436.560 1.249 20 0 IDADMP C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)cc(C4CC[NH2+]CC4)n2)CC3)CC1 ZINC001164996608 722231799 /nfs/dbraw/zinc/23/17/99/722231799.db2.gz KZGSENHRSKBTJI-UHFFFAOYSA-N 2 1 442.999 1.744 20 0 IDADMP CCOC(=O)c1cnc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1C(=O)OCC ZINC001164685217 719613293 /nfs/dbraw/zinc/61/32/93/719613293.db2.gz STNBXZJHWCXRRN-UHFFFAOYSA-N 2 1 430.509 1.502 20 0 IDADMP CCOC(=O)c1cnc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1C(=O)OCC ZINC001164685217 719613296 /nfs/dbraw/zinc/61/32/96/719613296.db2.gz STNBXZJHWCXRRN-UHFFFAOYSA-N 2 1 430.509 1.502 20 0 IDADMP CC(C)[N@H+](C)Cc1nn(-c2nc3scnc3c(N3CCOCC3)n2)c2c1CC[NH2+]C2 ZINC001164686022 719614595 /nfs/dbraw/zinc/61/45/95/719614595.db2.gz XPRLSPKBXBWNAV-UHFFFAOYSA-N 2 1 428.566 1.595 20 0 IDADMP CC(C)[N@@H+](C)Cc1nn(-c2nc3scnc3c(N3CCOCC3)n2)c2c1CC[NH2+]C2 ZINC001164686022 719614600 /nfs/dbraw/zinc/61/46/00/719614600.db2.gz XPRLSPKBXBWNAV-UHFFFAOYSA-N 2 1 428.566 1.595 20 0 IDADMP COCCn1ccc2c1nc[nH+]c2N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164717069 720184453 /nfs/dbraw/zinc/18/44/53/720184453.db2.gz KIJHUJZHSHLFAN-LJQANCHMSA-N 2 1 440.552 1.422 20 0 IDADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cccc(N3CCC([NH3+])CC3)n1)CCC2 ZINC001164812355 720232219 /nfs/dbraw/zinc/23/22/19/720232219.db2.gz GFDGPNPYVBVFOU-UHFFFAOYSA-N 2 1 425.581 1.816 20 0 IDADMP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)CCC2 ZINC001164812355 720232232 /nfs/dbraw/zinc/23/22/32/720232232.db2.gz GFDGPNPYVBVFOU-UHFFFAOYSA-N 3 1 425.581 1.816 20 0 IDADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)CCC2 ZINC001164812355 720232244 /nfs/dbraw/zinc/23/22/44/720232244.db2.gz GFDGPNPYVBVFOU-UHFFFAOYSA-N 3 1 425.581 1.816 20 0 IDADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccnc(N3CC[NH+](C)CC3)n2)CC1 ZINC001164825162 720347531 /nfs/dbraw/zinc/34/75/31/720347531.db2.gz ISKSTFALBYGODI-WOJBJXKFSA-N 2 1 427.597 1.140 20 0 IDADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164750376 720849056 /nfs/dbraw/zinc/84/90/56/720849056.db2.gz XJQIZRIQXCOYAY-DYXWJJEUSA-N 2 1 438.580 1.578 20 0 IDADMP CCOC(=O)c1c[nH]c2cc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)[nH+]cc21 ZINC001165001762 722236789 /nfs/dbraw/zinc/23/67/89/722236789.db2.gz LRXYTSJRCPTKJT-UHFFFAOYSA-N 2 1 435.532 1.887 20 0 IDADMP C[NH+]1CCN(Cc2cc3nc(N4CC[C@@H]5[NH2+]CC[C@@H]54)nc(N4CCOCC4)c3s2)CC1 ZINC001164410457 718875855 /nfs/dbraw/zinc/87/58/55/718875855.db2.gz BQEFAMZHGHAWHH-HKUYNNGSSA-N 2 1 443.621 1.216 20 0 IDADMP C[NH+]1CCN(Cc2cc3nc(N4CCC[C@H]5[NH2+]C[C@@H]54)nc(N4CCOCC4)c3s2)CC1 ZINC001164450357 718999828 /nfs/dbraw/zinc/99/98/28/718999828.db2.gz VDJODPNMNWOSOJ-MJGOQNOKSA-N 2 1 443.621 1.216 20 0 IDADMP C[N@H+]1CCO[C@@H]2CN(c3nccc(NC(=O)C(C)(C)C)c3C[NH+]3CC[C@H](CO)C3)C[C@@H]21 ZINC001164667404 719418395 /nfs/dbraw/zinc/41/83/95/719418395.db2.gz FNRFENGMFUWKJP-FFZOFVMBSA-N 2 1 431.581 1.400 20 0 IDADMP C[NH+]1CCO[C@@H]2CN(c3nccc(NC(=O)C(C)(C)C)c3C[N@@H+]3CC[C@H](CO)C3)C[C@@H]21 ZINC001164667404 719418399 /nfs/dbraw/zinc/41/83/99/719418399.db2.gz FNRFENGMFUWKJP-FFZOFVMBSA-N 2 1 431.581 1.400 20 0 IDADMP C[NH+]1CCO[C@@H]2CN(c3nccc(NC(=O)C(C)(C)C)c3C[N@H+]3CC[C@H](CO)C3)C[C@@H]21 ZINC001164667404 719418401 /nfs/dbraw/zinc/41/84/01/719418401.db2.gz FNRFENGMFUWKJP-FFZOFVMBSA-N 2 1 431.581 1.400 20 0 IDADMP CC(C)[N@H+](C)Cc1nn(-c2ncccc2S(=O)(=O)N2CCCCC2)c2c1CC[NH2+]C2 ZINC001164680604 719644936 /nfs/dbraw/zinc/64/49/36/719644936.db2.gz XYAWJJCJXALHCS-UHFFFAOYSA-N 2 1 432.594 1.928 20 0 IDADMP CC(C)[N@@H+](C)Cc1nn(-c2ncccc2S(=O)(=O)N2CCCCC2)c2c1CC[NH2+]C2 ZINC001164680604 719644940 /nfs/dbraw/zinc/64/49/40/719644940.db2.gz XYAWJJCJXALHCS-UHFFFAOYSA-N 2 1 432.594 1.928 20 0 IDADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c12 ZINC001164719858 720187508 /nfs/dbraw/zinc/18/75/08/720187508.db2.gz XLWKYPJJYOWDGM-INIZCTEOSA-N 2 1 440.508 1.089 20 0 IDADMP Cn1nnc2c1CCN(c1cc[nH+]c(N3CCCCC3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716635 720196087 /nfs/dbraw/zinc/19/60/87/720196087.db2.gz QLAHVQFHGVVMMU-LJQANCHMSA-N 2 1 426.569 1.812 20 0 IDADMP CCc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(N2CCOCC2)[nH+]1 ZINC001164834361 720328038 /nfs/dbraw/zinc/32/80/38/720328038.db2.gz ZQTHJKKDNUYIGI-RTWAWAEBSA-N 2 1 442.608 1.787 20 0 IDADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncccc3C(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC001164837266 720568579 /nfs/dbraw/zinc/56/85/79/720568579.db2.gz LNYQJVRYSRXPRI-ONTIZHBOSA-N 2 1 437.592 1.701 20 0 IDADMP Clc1nc2c(c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n1)C[NH2+]CC2 ZINC001164741666 720810450 /nfs/dbraw/zinc/81/04/50/720810450.db2.gz BPOIJGVKUHCHPG-FRQCXROJSA-N 2 1 428.972 1.747 20 0 IDADMP Clc1nc2c(c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n1)C[NH2+]CC2 ZINC001164741673 720810656 /nfs/dbraw/zinc/81/06/56/720810656.db2.gz BPOIJGVKUHCHPG-TXPKVOOTSA-N 2 1 428.972 1.747 20 0 IDADMP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)CC1 ZINC001164743089 720836786 /nfs/dbraw/zinc/83/67/86/720836786.db2.gz INLRTMANVOOWCZ-BHIFYINESA-N 2 1 436.608 1.804 20 0 IDADMP [NH3+]C1CCN(c2cccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH+]2)CC1 ZINC001164751834 720841945 /nfs/dbraw/zinc/84/19/45/720841945.db2.gz ZBJPPKJSOUADTO-BAGYTPMASA-N 3 1 436.608 1.980 20 0 IDADMP [NH3+]C1CCN(c2cccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)CC1 ZINC001164751834 720841947 /nfs/dbraw/zinc/84/19/47/720841947.db2.gz ZBJPPKJSOUADTO-BAGYTPMASA-N 2 1 436.608 1.980 20 0 IDADMP [NH3+]C1CCN(c2cccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)CC1 ZINC001164751834 720841948 /nfs/dbraw/zinc/84/19/48/720841948.db2.gz ZBJPPKJSOUADTO-BAGYTPMASA-N 2 1 436.608 1.980 20 0 IDADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164750378 720849231 /nfs/dbraw/zinc/84/92/31/720849231.db2.gz XJQIZRIQXCOYAY-IRFCIJBXSA-N 2 1 438.580 1.578 20 0 IDADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC2)C1 ZINC001164873856 721291639 /nfs/dbraw/zinc/29/16/39/721291639.db2.gz BZUZXHJXJKXZFB-UHFFFAOYSA-N 3 1 445.608 1.562 20 0 IDADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c1CC[NH2+]CC3)CC2 ZINC001164785973 721450048 /nfs/dbraw/zinc/45/00/48/721450048.db2.gz KOQCQFMNQLDPCP-HXUWFJFHSA-N 2 1 429.609 1.899 20 0 IDADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC[C@H]3C2)c1 ZINC001164985567 722151061 /nfs/dbraw/zinc/15/10/61/722151061.db2.gz ZVWMZHVZKIFKNF-VXKWHMMOSA-N 2 1 438.576 1.977 20 0 IDADMP C[NH+]1CCN(c2ncnc3c2CCN(c2cccc(OCC[NH+]4CCCC4)n2)CC3)CC1 ZINC001165002830 722236554 /nfs/dbraw/zinc/23/65/54/722236554.db2.gz ZHAAABBRIFYCFC-UHFFFAOYSA-N 2 1 437.592 1.703 20 0 IDADMP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ccnc(N3CC[NH+](C)CC3)n1)C2 ZINC001164616803 719011221 /nfs/dbraw/zinc/01/12/21/719011221.db2.gz LOXZEWJZNXXODQ-JPYJTQIMSA-N 2 1 428.581 1.378 20 0 IDADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833446 720322147 /nfs/dbraw/zinc/32/21/47/720322147.db2.gz XGFKPNLDQLGWFB-WOJBJXKFSA-N 2 1 426.565 1.989 20 0 IDADMP CCc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(N2CCOCC2)[nH+]1 ZINC001164834359 720328019 /nfs/dbraw/zinc/32/80/19/720328019.db2.gz ZQTHJKKDNUYIGI-NHCUHLMSSA-N 2 1 442.608 1.787 20 0 IDADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cccc(N3CCC([NH3+])CC3)n2)CC1 ZINC001164823936 720332739 /nfs/dbraw/zinc/33/27/39/720332739.db2.gz BSFJTEUFZAMMSH-SFTDATJTSA-N 2 1 426.609 1.921 20 0 IDADMP Clc1nc2c(c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n1)CC[NH2+]C2 ZINC001164737397 720816248 /nfs/dbraw/zinc/81/62/48/720816248.db2.gz AUWATTQOKGLBFK-TXPKVOOTSA-N 2 1 428.972 1.747 20 0 IDADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164745910 720835070 /nfs/dbraw/zinc/83/50/70/720835070.db2.gz ODTIROIUPYBOSY-XYJFISCASA-N 2 1 436.520 1.715 20 0 IDADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164745910 720835071 /nfs/dbraw/zinc/83/50/71/720835071.db2.gz ODTIROIUPYBOSY-XYJFISCASA-N 2 1 436.520 1.715 20 0 IDADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164750379 720848928 /nfs/dbraw/zinc/84/89/28/720848928.db2.gz XJQIZRIQXCOYAY-SVFBPWRDSA-N 2 1 438.580 1.578 20 0 IDADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(N3CC[NH2+]CC3)nn1)CC2 ZINC001164790224 721453874 /nfs/dbraw/zinc/45/38/74/721453874.db2.gz XLLYBNGDIVEIFN-OAQYLSRUSA-N 2 1 444.624 1.620 20 0 IDADMP O=C(c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1)N1CC[NH2+]CC1 ZINC001164906853 721543172 /nfs/dbraw/zinc/54/31/72/721543172.db2.gz LOHSHDQMNQCSHF-ICSRJNTNSA-N 2 1 425.508 1.608 20 0 IDADMP