smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nccn1CCCC[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000162027814 1042705810 /nfs/dbraw/zinc/70/58/10/1042705810.db2.gz BAWLWFZGEBPBNR-UHFFFAOYSA-N 2 0 330.451 3.687 10 0 EHAERP COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)C2CCCCC2)CC1 ZINC000012204329 563656101 /nfs/dbraw/zinc/65/61/01/563656101.db2.gz HYBUFUHAFOVOQE-UHFFFAOYSA-N 2 0 345.531 3.575 10 0 EHAERP CCc1cc(N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c2ccccc2[nH+]1 ZINC000333713905 1021929290 /nfs/dbraw/zinc/92/92/90/1021929290.db2.gz SRTCWPCVWMFAHW-RXVVDRJESA-N 2 0 339.483 3.520 10 0 EHAERP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCc4cccnc4)[C@H]3C2)cc1 ZINC000248389637 1028880379 /nfs/dbraw/zinc/88/03/79/1028880379.db2.gz AYCGRFPNHSLLSC-FKBYEOEOSA-N 2 0 335.495 3.514 10 0 EHAERP C[N@H+]1[C@@H]2CC[C@H]1CC(C[NH2+]Cc1ccc(F)c(Br)c1)C2 ZINC000038019016 202086425 /nfs/dbraw/zinc/08/64/25/202086425.db2.gz DWXDYKBDDVNUIO-AGUYFDCRSA-N 2 0 341.268 3.551 10 0 EHAERP CCCN(CC1CC1)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043092108 204210900 /nfs/dbraw/zinc/21/09/00/204210900.db2.gz XUPROBBIXOWIBW-MLGOLLRUSA-N 2 0 325.294 3.959 10 0 EHAERP Cc1cccc(N2CCC([NH2+][C@H]3CCc4ccc(F)cc43)CC2)n1 ZINC000128169278 1027400757 /nfs/dbraw/zinc/40/07/57/1027400757.db2.gz MZUGXYUNEPBVNY-IBGZPJMESA-N 2 0 325.431 3.775 10 0 EHAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000128598063 1027454320 /nfs/dbraw/zinc/45/43/20/1027454320.db2.gz NONKGHULTPLZNR-OALUTQOASA-N 2 0 338.499 3.740 10 0 EHAERP CC[NH2+][C@H](CC[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000053938111 214206645 /nfs/dbraw/zinc/20/66/45/214206645.db2.gz RTOPGPWEVKKPFM-MRXNPFEDSA-N 2 0 325.294 3.976 10 0 EHAERP CC[NH+]1CCC([C@@H](C)[NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000038039073 202092383 /nfs/dbraw/zinc/09/23/83/202092383.db2.gz WCPNCXKUXWOUAR-GFCCVEGCSA-N 2 0 343.284 3.798 10 0 EHAERP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCc4ccccn4)[C@@H]3C2)cc1 ZINC000248407589 1028893541 /nfs/dbraw/zinc/89/35/41/1028893541.db2.gz UKYFTXAHOJTORY-KSEOMHKRSA-N 2 0 335.495 3.514 10 0 EHAERP CCc1cc(N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c2ccccc2[nH+]1 ZINC000333713495 1021922141 /nfs/dbraw/zinc/92/21/41/1021922141.db2.gz SRTCWPCVWMFAHW-GHTZIAJQSA-N 2 0 339.483 3.520 10 0 EHAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CSCCS2)C3)cc1 ZINC000245709078 1029092850 /nfs/dbraw/zinc/09/28/50/1029092850.db2.gz NADXIBCVROLVGQ-RDGPPVDQSA-N 2 0 348.581 3.620 10 0 EHAERP C[NH+]1CCN(c2cc(N3CCCCC3)[nH+]c3ccc(Cl)cc32)CC1 ZINC000253495192 536419557 /nfs/dbraw/zinc/41/95/57/536419557.db2.gz HCXKIARKAXZAEG-UHFFFAOYSA-N 2 0 344.890 3.630 10 0 EHAERP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000246892748 1028707483 /nfs/dbraw/zinc/70/74/83/1028707483.db2.gz DUQCNHVTHIKMHA-LPTQZCDUSA-N 2 0 339.458 3.708 10 0 EHAERP COc1ccc2c(c1)[C@@H](NC[C@H]1CCC[N@@H+](C(C)C)C1)CCCO2 ZINC000246956328 1028718714 /nfs/dbraw/zinc/71/87/14/1028718714.db2.gz IOSFFSNACCEJJL-APWZRJJASA-N 2 0 332.488 3.619 10 0 EHAERP Clc1cccc(-c2n[nH]cc2CN2CCC([NH+]3CCCC3)CC2)c1 ZINC000127747116 1027350331 /nfs/dbraw/zinc/35/03/31/1027350331.db2.gz QBPRRWWZIIVGLR-UHFFFAOYSA-N 2 0 344.890 3.790 10 0 EHAERP c1ccc(COCCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000248615419 1028925540 /nfs/dbraw/zinc/92/55/40/1028925540.db2.gz YUJQYZRJVZHCQG-FPOVZHCZSA-N 2 0 328.500 3.542 10 0 EHAERP CCC[NH2+][C@H](CC[NH+]1CCCC1)c1cccc(Br)c1 ZINC000053937403 214206819 /nfs/dbraw/zinc/20/68/19/214206819.db2.gz JCNIHKMFXGMSGM-MRXNPFEDSA-N 2 0 325.294 3.976 10 0 EHAERP COc1cc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)ccc1O ZINC000180164565 1031865100 /nfs/dbraw/zinc/86/51/00/1031865100.db2.gz XDUFCTIKIPHPRW-UHFFFAOYSA-N 2 0 332.488 3.534 10 0 EHAERP CCC[NH+]1CCC(C[NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000105446320 1135947958 /nfs/dbraw/zinc/94/79/58/1135947958.db2.gz KAJHFPLNKSKKAV-UHFFFAOYSA-N 2 0 332.460 3.947 10 0 EHAERP Cc1[nH+]c2ccccc2c(N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1C ZINC000333479785 1138295384 /nfs/dbraw/zinc/29/53/84/1138295384.db2.gz BYJLPUZBQAHMTE-GHTZIAJQSA-N 2 0 339.483 3.574 10 0 EHAERP Cc1ccc2c(C)cc(N3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)nc2c1 ZINC000333712898 1138324104 /nfs/dbraw/zinc/32/41/04/1138324104.db2.gz SOYODQURHIJUFP-WIYYLYMNSA-N 2 0 339.483 3.574 10 0 EHAERP CC(C)C[NH2+]C[C@H](C)C[N@H+](C)Cc1ccc(Br)cc1 ZINC000052371752 214126817 /nfs/dbraw/zinc/12/68/17/214126817.db2.gz NDXUNPNYBRTHSA-AWEZNQCLSA-N 2 0 327.310 3.763 10 0 EHAERP CC[C@H]([NH3+])[C@@H](c1ccccc1Br)N(C)[C@@H](C)C1CC1 ZINC000043091723 204211586 /nfs/dbraw/zinc/21/15/86/204211586.db2.gz WCYZVWVYIWHFCA-KNXALSJPSA-N 2 0 325.294 3.958 10 0 EHAERP Cc1c[nH+]ccc1N1CCC[N@H+](Cc2ccnc3ccccc23)CC1 ZINC000065387016 563959357 /nfs/dbraw/zinc/95/93/57/563959357.db2.gz NYMGDDMDXNBQTG-UHFFFAOYSA-N 2 0 332.451 3.651 10 0 EHAERP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(Oc3ccccc3)nc1)CC2 ZINC000067947993 563963139 /nfs/dbraw/zinc/96/31/39/563963139.db2.gz VFWONXHRFUUFGN-UHFFFAOYSA-N 2 0 337.467 3.792 10 0 EHAERP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCc4ccccn4)[C@H]3C2)cc1 ZINC000248407587 1028896079 /nfs/dbraw/zinc/89/60/79/1028896079.db2.gz UKYFTXAHOJTORY-BVSLBCMMSA-N 2 0 335.495 3.514 10 0 EHAERP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000245889811 1029426107 /nfs/dbraw/zinc/42/61/07/1029426107.db2.gz MAIPPPRMJDWEEH-XUVXKRRUSA-N 2 0 328.500 3.574 10 0 EHAERP Cc1cccc2c1[nH+]cc(C)c2N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333626017 1138313349 /nfs/dbraw/zinc/31/33/49/1138313349.db2.gz FVEUHKUOAFVUFY-RXVVDRJESA-N 2 0 339.483 3.574 10 0 EHAERP COc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccccc2)CC1 ZINC000040175339 537019672 /nfs/dbraw/zinc/01/96/72/537019672.db2.gz NTXDNRNQQXAWFV-UHFFFAOYSA-N 2 0 333.435 3.566 10 0 EHAERP Cc1cccc(NC[C@@H]2CC[N@H+](CCC(Cl)(Cl)Cl)C2)[nH+]1 ZINC000184567132 1032297603 /nfs/dbraw/zinc/29/76/03/1032297603.db2.gz NXPVNOIWIILJMH-LBPRGKRZSA-N 2 0 336.694 3.884 10 0 EHAERP C[N@@H+]1CC[C@@H](C2CC[NH+](Cc3c[nH]nc3C3CCCCC3)CC2)C1 ZINC000012317778 564033911 /nfs/dbraw/zinc/03/39/11/564033911.db2.gz BHFXDGKCVAMRBP-GOSISDBHSA-N 2 0 330.520 3.621 10 0 EHAERP C[N@H+]1[C@@H]2CC[C@H]1CC(C[NH2+]Cc1ccc(Br)cc1F)C2 ZINC000038019160 202086368 /nfs/dbraw/zinc/08/63/68/202086368.db2.gz BFZFXFWTXVSZKF-PHTAMDTFSA-N 2 0 341.268 3.551 10 0 EHAERP O[C@H](c1ccc(Cl)cc1)C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000163114641 1029952213 /nfs/dbraw/zinc/95/22/13/1029952213.db2.gz VSJXHQSYLOCMLO-LJQANCHMSA-N 2 0 336.907 3.571 10 0 EHAERP CC(=O)Nc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000182032206 1032054612 /nfs/dbraw/zinc/05/46/12/1032054612.db2.gz FQLYDYPMYSNSKW-MRXNPFEDSA-N 2 0 343.515 3.950 10 0 EHAERP CC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1cnn(C)c1 ZINC000247230862 1028758868 /nfs/dbraw/zinc/75/88/68/1028758868.db2.gz WXTFCPJVHHBLPL-VDGAXYAQSA-N 2 0 326.488 3.514 10 0 EHAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2CSCCS2)C3)cc1 ZINC000245709076 1029091757 /nfs/dbraw/zinc/09/17/57/1029091757.db2.gz NADXIBCVROLVGQ-OKYOBFRVSA-N 2 0 348.581 3.620 10 0 EHAERP Cc1ccc2c(C)cc(N3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)nc2c1 ZINC000333712895 1138324285 /nfs/dbraw/zinc/32/42/85/1138324285.db2.gz SOYODQURHIJUFP-NQIIRXRSSA-N 2 0 339.483 3.574 10 0 EHAERP CC[NH+]1CCC([C@@H](C)[NH2+]Cc2ccc(Br)cc2)CC1 ZINC000047942924 204337798 /nfs/dbraw/zinc/33/77/98/204337798.db2.gz VOVCDYRRWOCPOO-CYBMUJFWSA-N 2 0 325.294 3.659 10 0 EHAERP CC(C)CC[NH2+]C[C@H](C)N(C)Cc1cccc(Br)c1 ZINC000053496894 207178059 /nfs/dbraw/zinc/17/80/59/207178059.db2.gz VIZRTHOSNZEAHX-AWEZNQCLSA-N 2 0 327.310 3.905 10 0 EHAERP Cn1ccnc1CC1CC[NH+](Cc2cnc(-c3ccco3)s2)CC1 ZINC000194387277 1028513903 /nfs/dbraw/zinc/51/39/03/1028513903.db2.gz GGWLZLLTLUMIFZ-UHFFFAOYSA-N 2 0 342.468 3.591 10 0 EHAERP CCCOc1c(Cl)cc(C[NH2+]CC2CC[NH2+]CC2)cc1OCC ZINC000020968112 202059703 /nfs/dbraw/zinc/05/97/03/202059703.db2.gz FIBMEJROXJIVTJ-UHFFFAOYSA-N 2 0 340.895 3.617 10 0 EHAERP C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1Br ZINC000038018940 202087342 /nfs/dbraw/zinc/08/73/42/202087342.db2.gz VAGPCRBMJJBUJB-AVOUXACISA-N 2 0 337.305 3.973 10 0 EHAERP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)ccc1OC ZINC000251661623 1029142222 /nfs/dbraw/zinc/14/22/22/1029142222.db2.gz IBHQEZCTYLVLKZ-XJRBWHPUSA-N 2 0 346.515 3.755 10 0 EHAERP CC1(C)[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@@H]2CCCO[C@H]21 ZINC000245966663 1029529714 /nfs/dbraw/zinc/52/97/14/1029529714.db2.gz ZCYRVBFNRLTFTR-XUVXKRRUSA-N 2 0 328.500 3.576 10 0 EHAERP Cc1cccc(N2CCC([NH2+][C@H](C)c3nc4ccccc4n3C)CC2)n1 ZINC000091342674 1030257028 /nfs/dbraw/zinc/25/70/28/1030257028.db2.gz CLURMLXDUKVGSN-MRXNPFEDSA-N 2 0 349.482 3.596 10 0 EHAERP Cc1ccc2c(C)cc(N3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)nc2c1 ZINC000333712897 1138323870 /nfs/dbraw/zinc/32/38/70/1138323870.db2.gz SOYODQURHIJUFP-RXVVDRJESA-N 2 0 339.483 3.574 10 0 EHAERP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000036919703 213126215 /nfs/dbraw/zinc/12/62/15/213126215.db2.gz YSHKPKBGCCWOGE-QWHCGFSZSA-N 2 0 325.294 3.830 10 0 EHAERP CCCOc1c(Cl)cc(Cl)cc1C[NH2+]CC1CC[NH2+]CC1 ZINC000020967928 212193783 /nfs/dbraw/zinc/19/37/83/212193783.db2.gz UENOFVMIIHJIRI-UHFFFAOYSA-N 2 0 331.287 3.871 10 0 EHAERP O[C@H](C[C@@H]1CCCCC[N@@H+]1CCC[NH+]1CCCC1)c1cccs1 ZINC000119373741 1032918604 /nfs/dbraw/zinc/91/86/04/1032918604.db2.gz OHLXWYWQZFWMHP-ZWKOTPCHSA-N 2 0 336.545 3.902 10 0 EHAERP COc1ccc(-c2ccncc2)cc1C[NH2+]CCCC[NH+]1CCCC1 ZINC000187127361 1035768107 /nfs/dbraw/zinc/76/81/07/1035768107.db2.gz KPKWVSJRFBPOLL-UHFFFAOYSA-N 2 0 339.483 3.723 10 0 EHAERP CC[NH+]1CCC([C@H](C)[NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000038039074 213195705 /nfs/dbraw/zinc/19/57/05/213195705.db2.gz WCPNCXKUXWOUAR-LBPRGKRZSA-N 2 0 343.284 3.798 10 0 EHAERP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)ccc1OC ZINC000251661627 1029142285 /nfs/dbraw/zinc/14/22/85/1029142285.db2.gz IBHQEZCTYLVLKZ-ZRRCRCOKSA-N 2 0 346.515 3.755 10 0 EHAERP CCc1csc([C@H]2CCC[N@H+](CCCCn3ccnc3C)C2)n1 ZINC000163010608 1043880501 /nfs/dbraw/zinc/88/05/01/1043880501.db2.gz MLYLKYYAMRLHKP-INIZCTEOSA-N 2 0 332.517 3.870 10 0 EHAERP CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1cnn(C)c1 ZINC000247230850 1028761266 /nfs/dbraw/zinc/76/12/66/1028761266.db2.gz WXTFCPJVHHBLPL-DBVUQKKJSA-N 2 0 326.488 3.514 10 0 EHAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000245607602 1028917528 /nfs/dbraw/zinc/91/75/28/1028917528.db2.gz NONKGHULTPLZNR-MOPGFXCFSA-N 2 0 338.499 3.740 10 0 EHAERP CCc1cc(N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c2ccccc2[nH+]1 ZINC000333713497 1021920782 /nfs/dbraw/zinc/92/07/82/1021920782.db2.gz SRTCWPCVWMFAHW-NQIIRXRSSA-N 2 0 339.483 3.520 10 0 EHAERP CC[NH+]1CCC([C@@H](C)[NH2+]Cc2ccc(Br)s2)CC1 ZINC000038018434 213190386 /nfs/dbraw/zinc/19/03/86/213190386.db2.gz OISNFBDJJRPEKT-LLVKDONJSA-N 2 0 331.323 3.721 10 0 EHAERP CC[NH+](CC)[C@H](C)c1cccc2[nH]c(CC[NH+]3CCCCC3)nc21 ZINC000216040409 241160942 /nfs/dbraw/zinc/16/09/42/241160942.db2.gz RJVPVFRNHFJOED-MRXNPFEDSA-N 2 0 328.504 3.994 10 0 EHAERP C[NH+](C)Cc1ccccc1C[NH2+]Cc1cc(Br)cs1 ZINC000020307115 212117615 /nfs/dbraw/zinc/11/76/15/212117615.db2.gz PDEGSFIVOSMTCA-UHFFFAOYSA-N 2 0 339.302 3.862 10 0 EHAERP O[C@@H](C[C@@H]1CCCCC[N@@H+]1CCC[NH+]1CCCC1)c1cccs1 ZINC000119373862 1032917562 /nfs/dbraw/zinc/91/75/62/1032917562.db2.gz OHLXWYWQZFWMHP-ROUUACIJSA-N 2 0 336.545 3.902 10 0 EHAERP Cc1cccc(N2CCC([NH2+][C@H](C)c3cc(F)cc(F)c3)CC2)n1 ZINC000128168814 1027399685 /nfs/dbraw/zinc/39/96/85/1027399685.db2.gz OEWFOWPOQITAIK-CQSZACIVSA-N 2 0 331.410 3.988 10 0 EHAERP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCc4ccccn4)[C@H]3C2)cc1 ZINC000248407588 1028894505 /nfs/dbraw/zinc/89/45/05/1028894505.db2.gz UKYFTXAHOJTORY-ILWGZMRPSA-N 2 0 335.495 3.514 10 0 EHAERP O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000163114516 1029951465 /nfs/dbraw/zinc/95/14/65/1029951465.db2.gz VSJXHQSYLOCMLO-IBGZPJMESA-N 2 0 336.907 3.571 10 0 EHAERP CC(C)C[NH2+]C[C@@H](C)C[N@H+](C)Cc1ccc(Br)cc1 ZINC000052371751 214126739 /nfs/dbraw/zinc/12/67/39/214126739.db2.gz NDXUNPNYBRTHSA-CQSZACIVSA-N 2 0 327.310 3.763 10 0 EHAERP C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1Br ZINC000038018941 213191726 /nfs/dbraw/zinc/19/17/26/213191726.db2.gz VAGPCRBMJJBUJB-FFHGMXDLSA-N 2 0 337.305 3.973 10 0 EHAERP CCc1csc([C@@H]2CCC[N@H+](CCCCn3ccnc3C)C2)n1 ZINC000163010488 1043881488 /nfs/dbraw/zinc/88/14/88/1043881488.db2.gz MLYLKYYAMRLHKP-MRXNPFEDSA-N 2 0 332.517 3.870 10 0 EHAERP CC(C)C[NH2+]CCCC[N@H+](C)Cc1ccccc1Br ZINC000052541168 214131845 /nfs/dbraw/zinc/13/18/45/214131845.db2.gz DXLRWOXXFJRKLQ-UHFFFAOYSA-N 2 0 327.310 3.907 10 0 EHAERP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccc1Br ZINC000036945386 213127080 /nfs/dbraw/zinc/12/70/80/213127080.db2.gz PCNRFPVXOAZTCE-QWHCGFSZSA-N 2 0 325.294 3.830 10 0 EHAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000128597842 1027454799 /nfs/dbraw/zinc/45/47/99/1027454799.db2.gz NONKGHULTPLZNR-RBUKOAKNSA-N 2 0 338.499 3.740 10 0 EHAERP Cc1ccc(N2CCC([NH2+]Cc3ccc([C@@H]4C[C@H]4C)o3)CC2)nc1 ZINC000174430891 1031216699 /nfs/dbraw/zinc/21/66/99/1031216699.db2.gz PNIUTPPQYAVZOB-CRAIPNDOSA-N 2 0 325.456 3.865 10 0 EHAERP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCc4cccnc4)[C@H]3C2)cc1 ZINC000248389635 1028880870 /nfs/dbraw/zinc/88/08/70/1028880870.db2.gz AYCGRFPNHSLLSC-FDFHNCONSA-N 2 0 335.495 3.514 10 0 EHAERP C[N@H+](CCC[C@@H]1CCCC[NH2+]1)Cc1ccc(Br)cc1 ZINC000050953090 214073334 /nfs/dbraw/zinc/07/33/34/214073334.db2.gz RWDCQDLMYJABIZ-INIZCTEOSA-N 2 0 325.294 3.803 10 0 EHAERP CC(C)C[NH2+]CC[C@@H](C)[N@H+](C)Cc1cccc(Br)c1 ZINC000052545237 214132689 /nfs/dbraw/zinc/13/26/89/214132689.db2.gz KSTXTPJGWLDIRB-CQSZACIVSA-N 2 0 327.310 3.905 10 0 EHAERP C[C@@H]([NH2+][C@@H](C)c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000036919704 213126526 /nfs/dbraw/zinc/12/65/26/213126526.db2.gz YSHKPKBGCCWOGE-OLZOCXBDSA-N 2 0 325.294 3.830 10 0 EHAERP c1csc(Cn2cccc2CN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683392 1030652822 /nfs/dbraw/zinc/65/28/22/1030652822.db2.gz TYZNSXIOPGEOAP-GOSISDBHSA-N 2 0 343.540 3.906 10 0 EHAERP CC(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000182032186 1032054341 /nfs/dbraw/zinc/05/43/41/1032054341.db2.gz FQLYDYPMYSNSKW-INIZCTEOSA-N 2 0 343.515 3.950 10 0 EHAERP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCc4cccnc4)[C@@H]3C2)cc1 ZINC000248389632 1028881093 /nfs/dbraw/zinc/88/10/93/1028881093.db2.gz AYCGRFPNHSLLSC-BHDDXSALSA-N 2 0 335.495 3.514 10 0 EHAERP Cc1ccc(N2CCC([NH2+][C@@H](C)c3nc4ccccc4n3C)CC2)nc1 ZINC000091346531 1030257128 /nfs/dbraw/zinc/25/71/28/1030257128.db2.gz LRPJXWUFSANWBT-INIZCTEOSA-N 2 0 349.482 3.596 10 0 EHAERP CCc1ccc2[nH+]ccc(N3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)c2c1 ZINC000333496437 1138296964 /nfs/dbraw/zinc/29/69/64/1138296964.db2.gz DWZXFUILPSSCGV-WIYYLYMNSA-N 2 0 339.483 3.520 10 0 EHAERP Cc1cccc2c1[nH+]cc(C)c2N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333626016 1138313365 /nfs/dbraw/zinc/31/33/65/1138313365.db2.gz FVEUHKUOAFVUFY-NQIIRXRSSA-N 2 0 339.483 3.574 10 0 EHAERP C[NH2+][C@@H](CC[N@@H+]1CCCC[C@@H]1C)c1ccc(Br)cc1 ZINC000053937589 214205885 /nfs/dbraw/zinc/20/58/85/214205885.db2.gz VJCXXUHOMGFBSR-BBRMVZONSA-N 2 0 325.294 3.974 10 0 EHAERP CCC[NH2+][C@@H](CC[NH+]1CCCC1)c1cccc(Br)c1 ZINC000053937401 214206419 /nfs/dbraw/zinc/20/64/19/214206419.db2.gz JCNIHKMFXGMSGM-INIZCTEOSA-N 2 0 325.294 3.976 10 0 EHAERP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)ccc1OC ZINC000251661618 1029143231 /nfs/dbraw/zinc/14/32/31/1029143231.db2.gz IBHQEZCTYLVLKZ-RMYQPGKMSA-N 2 0 346.515 3.755 10 0 EHAERP Cc1[nH+]c2ccccc2c(N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1C ZINC000333479787 1138295389 /nfs/dbraw/zinc/29/53/89/1138295389.db2.gz BYJLPUZBQAHMTE-RXVVDRJESA-N 2 0 339.483 3.574 10 0 EHAERP CCC[NH2+]CC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000053659327 214192841 /nfs/dbraw/zinc/19/28/41/214192841.db2.gz CQIMYEUAJCFJGD-UHFFFAOYSA-N 2 0 325.294 3.661 10 0 EHAERP C[NH2+][C@H](CC[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000053937329 214205367 /nfs/dbraw/zinc/20/53/67/214205367.db2.gz CVHLQUQCNQHWNN-MRXNPFEDSA-N 2 0 325.294 3.832 10 0 EHAERP C[NH+](C)CCNc1cc(N2CCCCC2)[nH+]c2ccc(Cl)cc12 ZINC000253495239 244004786 /nfs/dbraw/zinc/00/47/86/244004786.db2.gz OYFLQJCBWNWLOK-UHFFFAOYSA-N 2 0 332.879 3.852 10 0 EHAERP Cc1cccc(NC[C@H]2CC[N@H+](CCC(Cl)(Cl)Cl)C2)[nH+]1 ZINC000184567151 1032296584 /nfs/dbraw/zinc/29/65/84/1032296584.db2.gz NXPVNOIWIILJMH-GFCCVEGCSA-N 2 0 336.694 3.884 10 0 EHAERP C[N@H+](CCC[C@H]1CCCC[NH2+]1)Cc1ccccc1Br ZINC000050953109 214072983 /nfs/dbraw/zinc/07/29/83/214072983.db2.gz VDMZERMSWNJWPW-OAHLLOKOSA-N 2 0 325.294 3.803 10 0 EHAERP CC[NH+](CC)[C@@H](C)c1cccc2[nH]c(CC[NH+]3CCCCC3)nc21 ZINC000216040368 241160372 /nfs/dbraw/zinc/16/03/72/241160372.db2.gz RJVPVFRNHFJOED-INIZCTEOSA-N 2 0 328.504 3.994 10 0 EHAERP C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1 ZINC000156870075 1030083988 /nfs/dbraw/zinc/08/39/88/1030083988.db2.gz VWGATLJIWVGCBZ-GUXCAODWSA-N 2 0 327.447 3.782 10 0 EHAERP CC[NH+]1CCC([C@H](C)[NH2+]Cc2ccc(Br)s2)CC1 ZINC000038018435 213189930 /nfs/dbraw/zinc/18/99/30/213189930.db2.gz OISNFBDJJRPEKT-NSHDSACASA-N 2 0 331.323 3.721 10 0 EHAERP Cc1[nH+]c2ccccc2c(N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1C ZINC000333479788 1138295317 /nfs/dbraw/zinc/29/53/17/1138295317.db2.gz BYJLPUZBQAHMTE-WIYYLYMNSA-N 2 0 339.483 3.574 10 0 EHAERP CC(C)C[NH+]1CCC([C@H]2CC[N@H+](Cc3cnn(C(C)C)c3)C2)CC1 ZINC000011840824 211254335 /nfs/dbraw/zinc/25/43/35/211254335.db2.gz LZRNKAQLPRXRQT-FQEVSTJZSA-N 2 0 332.536 3.654 10 0 EHAERP Cc1cc[n+]2cc3c(nc2c1)C=C1N=C2C=C(C)C=CN2C=C1C3(C)C ZINC000196213118 563999727 /nfs/dbraw/zinc/99/97/27/563999727.db2.gz OPXYGSHJTTWYTB-UHFFFAOYSA-N 2 0 341.438 3.832 10 0 EHAERP Cc1ccsc1C[NH+]1CCC2(C[C@@H]2N(C)Cc2nccs2)CC1 ZINC000275742031 564009938 /nfs/dbraw/zinc/00/99/38/564009938.db2.gz PSTWNGNMWSMFLK-INIZCTEOSA-N 2 0 347.553 4.000 10 0 EHAERP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000245889801 1029426051 /nfs/dbraw/zinc/42/60/51/1029426051.db2.gz MAIPPPRMJDWEEH-AQNXPRMDSA-N 2 0 328.500 3.574 10 0 EHAERP CC[NH2+][C@@H](CC[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000053938110 214206735 /nfs/dbraw/zinc/20/67/35/214206735.db2.gz RTOPGPWEVKKPFM-INIZCTEOSA-N 2 0 325.294 3.976 10 0 EHAERP NC(=[NH2+])c1ccc2oc(/C=C/c3cc4ccc(C(N)=[NH2+])cc4[nH]3)cc2c1 ZINC000005785302 210536198 /nfs/dbraw/zinc/53/61/98/210536198.db2.gz GCRYQJZPRMMLMQ-SNAWJCMRSA-N 2 0 343.390 3.653 10 0 EHAERP COc1ccc2[nH]cc(C3CC[NH+](CCC[NH+]4CCCC4)CC3)c2c1 ZINC000193479031 1036689023 /nfs/dbraw/zinc/68/90/23/1036689023.db2.gz PZVWNNAKJHXJIO-UHFFFAOYSA-N 2 0 341.499 3.842 10 0 EHAERP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000036919705 213125902 /nfs/dbraw/zinc/12/59/02/213125902.db2.gz YSHKPKBGCCWOGE-CHWSQXEVSA-N 2 0 325.294 3.830 10 0 EHAERP Cc1cccc2[nH]c(C3CC[NH+](Cc4cccc(CC[NH3+])c4)CC3)nc21 ZINC000072168610 216058872 /nfs/dbraw/zinc/05/88/72/216058872.db2.gz WRSZIWMLFBPUEI-UHFFFAOYSA-N 2 0 348.494 3.752 10 0 EHAERP CCc1ccc2[nH+]ccc(N3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)c2c1 ZINC000333496431 1138296806 /nfs/dbraw/zinc/29/68/06/1138296806.db2.gz DWZXFUILPSSCGV-NQIIRXRSSA-N 2 0 339.483 3.520 10 0 EHAERP Cc1cccc2c1[nH+]cc(C)c2N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333626014 1138313259 /nfs/dbraw/zinc/31/32/59/1138313259.db2.gz FVEUHKUOAFVUFY-GHTZIAJQSA-N 2 0 339.483 3.574 10 0 EHAERP C[N@H+](CCC[C@H]1CCCC[NH2+]1)Cc1ccc(Br)cc1 ZINC000050953092 214073303 /nfs/dbraw/zinc/07/33/03/214073303.db2.gz RWDCQDLMYJABIZ-MRXNPFEDSA-N 2 0 325.294 3.803 10 0 EHAERP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)ccc1OC ZINC000187297638 1035808216 /nfs/dbraw/zinc/80/82/16/1035808216.db2.gz IBHQEZCTYLVLKZ-BQBKMSKFSA-N 2 0 346.515 3.755 10 0 EHAERP C[NH2+][C@H](CC[NH+]1CCCCCC1)c1ccc(Br)cc1 ZINC000053937882 214206404 /nfs/dbraw/zinc/20/64/04/214206404.db2.gz GJFHPONLSOCTFZ-MRXNPFEDSA-N 2 0 325.294 3.976 10 0 EHAERP Cc1cccc(N2CCC([NH2+][C@@H](C)c3cc(F)cc(F)c3)CC2)n1 ZINC000128168613 1027400487 /nfs/dbraw/zinc/40/04/87/1027400487.db2.gz OEWFOWPOQITAIK-AWEZNQCLSA-N 2 0 331.410 3.988 10 0 EHAERP C[C@@H]1CC([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000377330461 1037562605 /nfs/dbraw/zinc/56/26/05/1037562605.db2.gz NLELRHCYVNGTBH-GGPKGHCWSA-N 2 0 330.516 3.834 10 0 EHAERP C[C@@H]1CC([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000377330465 1037563375 /nfs/dbraw/zinc/56/33/75/1037563375.db2.gz NLELRHCYVNGTBH-QWFCFKBJSA-N 2 0 330.516 3.834 10 0 EHAERP C[NH2+][C@@H](CC[NH+]1CCCCCC1)c1ccc(Br)cc1 ZINC000053937880 214206336 /nfs/dbraw/zinc/20/63/36/214206336.db2.gz GJFHPONLSOCTFZ-INIZCTEOSA-N 2 0 325.294 3.976 10 0 EHAERP c1csc(Cn2cccc2CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683393 1030652707 /nfs/dbraw/zinc/65/27/07/1030652707.db2.gz TYZNSXIOPGEOAP-SFHVURJKSA-N 2 0 343.540 3.906 10 0 EHAERP C[N@H+](CCC[C@H]1CCCC[NH2+]1)Cc1csc(Br)c1 ZINC000050953593 214073628 /nfs/dbraw/zinc/07/36/28/214073628.db2.gz YNAURRXYRQUXIX-CYBMUJFWSA-N 2 0 331.323 3.865 10 0 EHAERP C[NH2+][C@@H](CC[N@@H+]1CCC[C@@H](C)C1)c1ccc(Br)cc1 ZINC000053937829 214206596 /nfs/dbraw/zinc/20/65/96/214206596.db2.gz DUFGGKYVXYVXKS-CJNGLKHVSA-N 2 0 325.294 3.832 10 0 EHAERP C[C@@H]([NH2+][C@@H](C)c1ccccc1Br)C1CC[NH+](C)CC1 ZINC000036945387 213127323 /nfs/dbraw/zinc/12/73/23/213127323.db2.gz PCNRFPVXOAZTCE-OLZOCXBDSA-N 2 0 325.294 3.830 10 0 EHAERP Cc1cccc(N2CCC([NH2+][C@@H](C)c3nc4ccccc4n3C)CC2)n1 ZINC000091342672 1030254946 /nfs/dbraw/zinc/25/49/46/1030254946.db2.gz CLURMLXDUKVGSN-INIZCTEOSA-N 2 0 349.482 3.596 10 0 EHAERP Cc1c([C@H](C)[NH2+]C2CCN(c3cccc(C)n3)CC2)cnn1C(C)C ZINC000191294237 1036360351 /nfs/dbraw/zinc/36/03/51/1036360351.db2.gz UFDBLWKFJYLOTE-INIZCTEOSA-N 2 0 341.503 3.795 10 0 EHAERP C[NH+]1CCN(c2cc(N3CCCCC3)c3cc(Cl)ccc3[nH+]2)CC1 ZINC000253495268 536420144 /nfs/dbraw/zinc/42/01/44/536420144.db2.gz SHMRRXKGBAWSBC-UHFFFAOYSA-N 2 0 344.890 3.630 10 0 EHAERP O[C@H](C[C@H]1CCCCC[N@@H+]1CCC[NH+]1CCCC1)c1cccs1 ZINC000119373985 1032918364 /nfs/dbraw/zinc/91/83/64/1032918364.db2.gz OHLXWYWQZFWMHP-QZTJIDSGSA-N 2 0 336.545 3.902 10 0 EHAERP Cc1ccc(N2CCC([NH2+]Cc3ccc([C@H]4C[C@@H]4C)o3)CC2)nc1 ZINC000174430881 1031217965 /nfs/dbraw/zinc/21/79/65/1031217965.db2.gz PNIUTPPQYAVZOB-YJBOKZPZSA-N 2 0 325.456 3.865 10 0 EHAERP CC(C)C[NH2+]CC[C@H](C)[N@H+](C)Cc1cccc(Br)c1 ZINC000052545238 214132005 /nfs/dbraw/zinc/13/20/05/214132005.db2.gz KSTXTPJGWLDIRB-AWEZNQCLSA-N 2 0 327.310 3.905 10 0 EHAERP C[N@H+]1[C@@H]2CC[C@H]1CC(C[NH2+]Cc1cc(Br)ccc1F)C2 ZINC000038019123 213191053 /nfs/dbraw/zinc/19/10/53/213191053.db2.gz HMPNNVCJQFEWNO-PHTAMDTFSA-N 2 0 341.268 3.551 10 0 EHAERP CC[N@@H+]1CC[C@@H](C[NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000037644374 521710423 /nfs/dbraw/zinc/71/04/23/521710423.db2.gz WSRRWGXJEWIFNU-KTAKPFMOSA-N 2 0 337.305 3.627 10 0 EHAERP C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1 ZINC000156870240 1030084500 /nfs/dbraw/zinc/08/45/00/1030084500.db2.gz VWGATLJIWVGCBZ-FTRWYGJKSA-N 2 0 327.447 3.782 10 0 EHAERP C[C@@H](CCC[NH2+]C1CC1)[N@H+](C)Cc1cccc(Br)c1 ZINC000052545186 214132051 /nfs/dbraw/zinc/13/20/51/214132051.db2.gz CZIVLXVPUZIQIY-ZDUSSCGKSA-N 2 0 325.294 3.802 10 0 EHAERP C[NH2+][C@H](CC[N@@H+]1CCCSCC1)c1ccc(Br)cc1 ZINC000053972012 214207810 /nfs/dbraw/zinc/20/78/10/214207810.db2.gz HRDDKLXOYDXPIJ-OAHLLOKOSA-N 2 0 343.334 3.539 10 0 EHAERP C[N@@H+]1CC[C@H](C2CC[NH+](Cc3c[nH]nc3C3CCCCC3)CC2)C1 ZINC000012317779 211343171 /nfs/dbraw/zinc/34/31/71/211343171.db2.gz BHFXDGKCVAMRBP-SFHVURJKSA-N 2 0 330.520 3.621 10 0 EHAERP Cc1ccsc1C[NH+]1CCC2(C[C@H]2N(C)Cc2nccs2)CC1 ZINC000275742036 564009933 /nfs/dbraw/zinc/00/99/33/564009933.db2.gz PSTWNGNMWSMFLK-MRXNPFEDSA-N 2 0 347.553 4.000 10 0 EHAERP Cc1[nH+]c2ccccc2c(N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1C ZINC000333479786 1138295399 /nfs/dbraw/zinc/29/53/99/1138295399.db2.gz BYJLPUZBQAHMTE-NQIIRXRSSA-N 2 0 339.483 3.574 10 0 EHAERP C[N@H+](CCC[C@@H]1CCCC[NH2+]1)Cc1ccccc1Br ZINC000050953106 214072947 /nfs/dbraw/zinc/07/29/47/214072947.db2.gz VDMZERMSWNJWPW-HNNXBMFYSA-N 2 0 325.294 3.803 10 0 EHAERP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)c2ccccc21 ZINC000012307715 211341815 /nfs/dbraw/zinc/34/18/15/211341815.db2.gz BHOAVKRLPHRBSU-JOCHJYFZSA-N 2 0 337.511 3.876 10 0 EHAERP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000246892759 1028708854 /nfs/dbraw/zinc/70/88/54/1028708854.db2.gz DUQCNHVTHIKMHA-NQERJWCQSA-N 2 0 339.458 3.708 10 0 EHAERP C[N@H+](Cc1ccc(Br)cc1)CC1(C[NH3+])CCCCC1 ZINC000051285526 214085888 /nfs/dbraw/zinc/08/58/88/214085888.db2.gz KLRVKASSYSGWCT-UHFFFAOYSA-N 2 0 325.294 3.790 10 0 EHAERP C[N@H+](CCCCC[NH2+]C1CC1)Cc1ccc(Br)cc1 ZINC000052371820 214127202 /nfs/dbraw/zinc/12/72/02/214127202.db2.gz JIINEXKRTJHRNG-UHFFFAOYSA-N 2 0 325.294 3.803 10 0 EHAERP COc1cc(C[NH+]2CCC(Cc3nccn3C)CC2)ccc1SC ZINC000109329253 1037664540 /nfs/dbraw/zinc/66/45/40/1037664540.db2.gz SVHSRPNKRAWENC-UHFFFAOYSA-N 2 0 345.512 3.605 10 0 EHAERP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000246892745 1028707356 /nfs/dbraw/zinc/70/73/56/1028707356.db2.gz DUQCNHVTHIKMHA-IPHXSNPTSA-N 2 0 339.458 3.708 10 0 EHAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000245607606 1028918042 /nfs/dbraw/zinc/91/80/42/1028918042.db2.gz NONKGHULTPLZNR-RTBURBONSA-N 2 0 338.499 3.740 10 0 EHAERP COc1ccc(C[NH+]2CCC(Cc3nccn3C)CC2)cc1Cl ZINC000157149015 1030303969 /nfs/dbraw/zinc/30/39/69/1030303969.db2.gz VQFUYAXPCKUSFR-UHFFFAOYSA-N 2 0 333.863 3.537 10 0 EHAERP CCc1ccc2[nH+]ccc(N3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)c2c1 ZINC000333496433 1138296858 /nfs/dbraw/zinc/29/68/58/1138296858.db2.gz DWZXFUILPSSCGV-RXVVDRJESA-N 2 0 339.483 3.520 10 0 EHAERP C[NH2+][C@@H](CC[N@@H+]1CCCSCC1)c1ccc(Br)cc1 ZINC000053972011 214208086 /nfs/dbraw/zinc/20/80/86/214208086.db2.gz HRDDKLXOYDXPIJ-HNNXBMFYSA-N 2 0 343.334 3.539 10 0 EHAERP Cc1cccc(N2CCC([NH2+][C@@H]3CCc4ccc(F)cc43)CC2)n1 ZINC000128169063 1027399411 /nfs/dbraw/zinc/39/94/11/1027399411.db2.gz MZUGXYUNEPBVNY-LJQANCHMSA-N 2 0 325.431 3.775 10 0 EHAERP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1 ZINC000247101241 1028746740 /nfs/dbraw/zinc/74/67/40/1028746740.db2.gz OQAJUZWFOZOJAA-PSAKCFHXSA-N 2 0 325.456 3.789 10 0 EHAERP CC(C)[NH2+]CC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000053659688 214193091 /nfs/dbraw/zinc/19/30/91/214193091.db2.gz GTWDPRTYUNDYHN-UHFFFAOYSA-N 2 0 325.294 3.659 10 0 EHAERP c1cncc(C[NH+]2CCC([C@H]3CC[N@@H+](CC4CCCC4)C3)CC2)c1 ZINC000012303956 211339660 /nfs/dbraw/zinc/33/96/60/211339660.db2.gz KNRNSQYLIVAZQH-NRFANRHFSA-N 2 0 327.516 3.806 10 0 EHAERP Cc1cc(C)n(-c2ccc(CN3CCC([NH+]4CCCC4)CC3)cc2)n1 ZINC000066533397 1028332978 /nfs/dbraw/zinc/33/29/78/1028332978.db2.gz SQVVKWMOABZCKE-UHFFFAOYSA-N 2 0 338.499 3.549 10 0 EHAERP C[NH+](C)Cc1ccccc1C[NH2+]Cc1ccc(Br)s1 ZINC000020128654 212103812 /nfs/dbraw/zinc/10/38/12/212103812.db2.gz KCGFHZHGUMXRID-UHFFFAOYSA-N 2 0 339.302 3.862 10 0 EHAERP CC1(C)[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@H]2CCCO[C@H]21 ZINC000245966659 1029529641 /nfs/dbraw/zinc/52/96/41/1029529641.db2.gz ZCYRVBFNRLTFTR-VAMGGRTRSA-N 2 0 328.500 3.576 10 0 EHAERP Cc1ccc(N2CCC([NH2+][C@H](C)c3nc4ccccc4n3C)CC2)nc1 ZINC000091346532 1030255757 /nfs/dbraw/zinc/25/57/57/1030255757.db2.gz LRPJXWUFSANWBT-MRXNPFEDSA-N 2 0 349.482 3.596 10 0 EHAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2CSCCS2)C3)cc1 ZINC000245709068 1029092158 /nfs/dbraw/zinc/09/21/58/1029092158.db2.gz NADXIBCVROLVGQ-AKHDSKFASA-N 2 0 348.581 3.620 10 0 EHAERP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccc1Br ZINC000036945385 213127720 /nfs/dbraw/zinc/12/77/20/213127720.db2.gz PCNRFPVXOAZTCE-STQMWFEESA-N 2 0 325.294 3.830 10 0 EHAERP c1cncc(C[NH+]2CCC([C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)c1 ZINC000012434929 211380621 /nfs/dbraw/zinc/38/06/21/211380621.db2.gz OJUWARCYHBNGDB-HXUWFJFHSA-N 2 0 327.516 3.948 10 0 EHAERP COc1ccc2[nH+]ccc(N3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000040175340 132399194 /nfs/dbraw/zinc/39/91/94/132399194.db2.gz FJQMHENJGJWRKN-UHFFFAOYSA-N 2 0 333.435 3.566 10 0 EHAERP c1ccc(COCCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000248615428 1028924944 /nfs/dbraw/zinc/92/49/44/1028924944.db2.gz YUJQYZRJVZHCQG-PZJWPPBQSA-N 2 0 328.500 3.542 10 0 EHAERP Cc1c([C@@H](C)[NH2+]C2CCN(c3cccc(C)n3)CC2)cnn1C(C)C ZINC000191294256 1036359914 /nfs/dbraw/zinc/35/99/14/1036359914.db2.gz UFDBLWKFJYLOTE-MRXNPFEDSA-N 2 0 341.503 3.795 10 0 EHAERP C[NH2+][C@@H](CC[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000053937327 214206544 /nfs/dbraw/zinc/20/65/44/214206544.db2.gz CVHLQUQCNQHWNN-INIZCTEOSA-N 2 0 325.294 3.832 10 0 EHAERP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000036919702 213126201 /nfs/dbraw/zinc/12/62/01/213126201.db2.gz YSHKPKBGCCWOGE-STQMWFEESA-N 2 0 325.294 3.830 10 0 EHAERP CCc1cc(N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c2ccccc2[nH+]1 ZINC000333713907 1021929529 /nfs/dbraw/zinc/92/95/29/1021929529.db2.gz SRTCWPCVWMFAHW-WIYYLYMNSA-N 2 0 339.483 3.520 10 0 EHAERP COc1ccc2c(c1)[C@@H](NC[C@@H]1CCC[N@@H+](C(C)C)C1)CCCO2 ZINC000246956359 1028717765 /nfs/dbraw/zinc/71/77/65/1028717765.db2.gz IOSFFSNACCEJJL-LPHOPBHVSA-N 2 0 332.488 3.619 10 0 EHAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(C)cc2)[C@@H](C)C1 ZINC000245779226 1029284940 /nfs/dbraw/zinc/28/49/40/1029284940.db2.gz UAAVTYDIIKTIJN-LPHOPBHVSA-N 2 0 326.488 3.547 10 0 EHAERP c1cncc(C[NH+]2CCC([C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)c1 ZINC000012434930 211379210 /nfs/dbraw/zinc/37/92/10/211379210.db2.gz OJUWARCYHBNGDB-FQEVSTJZSA-N 2 0 327.516 3.948 10 0 EHAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(C)cc2)[C@@H](C)C1 ZINC000245779230 1029285340 /nfs/dbraw/zinc/28/53/40/1029285340.db2.gz UAAVTYDIIKTIJN-QFBILLFUSA-N 2 0 326.488 3.547 10 0 EHAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(Br)s2)C1 ZINC000038018426 213190538 /nfs/dbraw/zinc/19/05/38/213190538.db2.gz GCMDRSNUXZUSKP-NEPJUHHUSA-N 2 0 331.323 3.721 10 0 EHAERP C[C@H](CCC[NH2+]C1CC1)[N@H+](C)Cc1cccc(Br)c1 ZINC000052545187 214131829 /nfs/dbraw/zinc/13/18/29/214131829.db2.gz CZIVLXVPUZIQIY-CYBMUJFWSA-N 2 0 325.294 3.802 10 0 EHAERP C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1 ZINC000038019081 213191235 /nfs/dbraw/zinc/19/12/35/213191235.db2.gz MXAXWDSSZXLKPJ-KZWSWKJNSA-N 2 0 337.305 3.973 10 0 EHAERP O[C@@H](C[C@H]1CCCCC[N@@H+]1CCC[NH+]1CCCC1)c1cccs1 ZINC000119374121 1032917247 /nfs/dbraw/zinc/91/72/47/1032917247.db2.gz OHLXWYWQZFWMHP-MSOLQXFVSA-N 2 0 336.545 3.902 10 0 EHAERP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1 ZINC000247101218 1028744287 /nfs/dbraw/zinc/74/42/87/1028744287.db2.gz OQAJUZWFOZOJAA-GAZPGATBSA-N 2 0 325.456 3.789 10 0 EHAERP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cc1 ZINC000247103010 1028745411 /nfs/dbraw/zinc/74/54/11/1028745411.db2.gz OQAJUZWFOZOJAA-VVHHDAOASA-N 2 0 325.456 3.789 10 0 EHAERP CCc1ccc2[nH+]ccc(N3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)c2c1 ZINC000333496430 1138296924 /nfs/dbraw/zinc/29/69/24/1138296924.db2.gz DWZXFUILPSSCGV-GHTZIAJQSA-N 2 0 339.483 3.520 10 0 EHAERP CC(C)C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cnn(C(C)C)c3)C2)CC1 ZINC000011840822 211253756 /nfs/dbraw/zinc/25/37/56/211253756.db2.gz LZRNKAQLPRXRQT-HXUWFJFHSA-N 2 0 332.536 3.654 10 0 EHAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CSCCS2)C3)cc1 ZINC000245709072 1029092515 /nfs/dbraw/zinc/09/25/15/1029092515.db2.gz NADXIBCVROLVGQ-FCGDIQPGSA-N 2 0 348.581 3.620 10 0 EHAERP Cc1cccc2c1[nH+]cc(C)c2N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333626018 1138313267 /nfs/dbraw/zinc/31/32/67/1138313267.db2.gz FVEUHKUOAFVUFY-WIYYLYMNSA-N 2 0 339.483 3.574 10 0 EHAERP CC[NH2+][C@H](CC[N@@H+]1CCC[C@@H]1C)c1cccc(Br)c1 ZINC000053936856 214205542 /nfs/dbraw/zinc/20/55/42/214205542.db2.gz XLCSPFWDYJUTKZ-XJKSGUPXSA-N 2 0 325.294 3.974 10 0 EHAERP C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(Br)c1 ZINC000038018956 213191275 /nfs/dbraw/zinc/19/12/75/213191275.db2.gz JABWJANKLXNFMU-KZWSWKJNSA-N 2 0 337.305 3.973 10 0 EHAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(Br)s2)C1 ZINC000038018427 213189940 /nfs/dbraw/zinc/18/99/40/213189940.db2.gz GCMDRSNUXZUSKP-VXGBXAGGSA-N 2 0 331.323 3.721 10 0 EHAERP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)c2ccccc21 ZINC000012307716 211341727 /nfs/dbraw/zinc/34/17/27/211341727.db2.gz BHOAVKRLPHRBSU-QFIPXVFZSA-N 2 0 337.511 3.876 10 0 EHAERP c1cc([C@@H]2CCCN2CCC[N@@H+]2CCC[C@H]2c2ccncc2)ccn1 ZINC000245609551 1028918497 /nfs/dbraw/zinc/91/84/97/1028918497.db2.gz NUAUOFAUOCBVEA-SFTDATJTSA-N 2 0 336.483 3.841 10 0 EHAERP Cc1sc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc1-c1ccccc1 ZINC000193020318 1036572923 /nfs/dbraw/zinc/57/29/23/1036572923.db2.gz GFCUYTNMDWYMPU-AYHJJNSGSA-N 2 0 341.524 3.876 10 0 EHAERP Cc1ccc2c(C)cc(N3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)nc2c1 ZINC000333712894 1138323891 /nfs/dbraw/zinc/32/38/91/1138323891.db2.gz SOYODQURHIJUFP-GHTZIAJQSA-N 2 0 339.483 3.574 10 0 EHAERP CC[NH2+][C@@H](CC[N@@H+]1CCC[C@@H]1C)c1cccc(Br)c1 ZINC000053936854 214205619 /nfs/dbraw/zinc/20/56/19/214205619.db2.gz XLCSPFWDYJUTKZ-BBRMVZONSA-N 2 0 325.294 3.974 10 0 EHAERP CCCOc1c(Cl)cc(C[NH2+]CC2CC[NH2+]CC2)cc1Cl ZINC000020967491 212193685 /nfs/dbraw/zinc/19/36/85/212193685.db2.gz FIJXRBCBOALJCK-UHFFFAOYSA-N 2 0 331.287 3.871 10 0 EHAERP CC[N@@H+]1CC[C@H](C[NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000037644373 521717242 /nfs/dbraw/zinc/71/72/42/521717242.db2.gz WSRRWGXJEWIFNU-BZOOQXSSSA-N 2 0 337.305 3.627 10 0 EHAERP C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1 ZINC000038019080 213191934 /nfs/dbraw/zinc/19/19/34/213191934.db2.gz MXAXWDSSZXLKPJ-MACMSNGSSA-N 2 0 337.305 3.973 10 0 EHAERP C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(Br)c1 ZINC000038018955 213191281 /nfs/dbraw/zinc/19/12/81/213191281.db2.gz JABWJANKLXNFMU-MACMSNGSSA-N 2 0 337.305 3.973 10 0 EHAERP