smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(cc[nH+]c2N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1 ZINC001164814678 720215595 /nfs/dbraw/zinc/21/55/95/720215595.db2.gz WGMUDQTZCDKPOT-UHFFFAOYSA-N 2 2 407.518 3.051 20 0 HGADLP COc1ccc2c(cc[nH+]c2N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1 ZINC001164814678 720215609 /nfs/dbraw/zinc/21/56/09/720215609.db2.gz WGMUDQTZCDKPOT-UHFFFAOYSA-N 2 2 407.518 3.051 20 0 HGADLP COC(=O)c1ccc(-c2ccc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)[nH+]c2C)cc1 ZINC001164734220 720522874 /nfs/dbraw/zinc/52/28/74/720522874.db2.gz OFCRHRBYJKHGNM-SFHVURJKSA-N 2 2 419.529 3.238 20 0 HGADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C(C)(C)C)[nH+]1 ZINC001164744582 720850745 /nfs/dbraw/zinc/85/07/45/720850745.db2.gz KSJJDSIOIPMSOR-XUVXKRRUSA-N 2 2 409.582 3.053 20 0 HGADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C(C)(C)C)[nH+]1 ZINC001164744582 720850748 /nfs/dbraw/zinc/85/07/48/720850748.db2.gz KSJJDSIOIPMSOR-XUVXKRRUSA-N 2 2 409.582 3.053 20 0 HGADLP CCCc1cc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc(C)[nH+]1 ZINC001164785313 721358443 /nfs/dbraw/zinc/35/84/43/721358443.db2.gz UJYNPZRHKHGHRH-HSZRJFAPSA-N 2 2 413.566 3.461 20 0 HGADLP CCCc1cc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc(C)[nH+]1 ZINC001164785313 721358446 /nfs/dbraw/zinc/35/84/46/721358446.db2.gz UJYNPZRHKHGHRH-HSZRJFAPSA-N 2 2 413.566 3.461 20 0 HGADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164952610 722014702 /nfs/dbraw/zinc/01/47/02/722014702.db2.gz ONNAMBRYDXAJCZ-UHFFFAOYSA-N 2 2 420.517 3.022 20 0 HGADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164952610 722014705 /nfs/dbraw/zinc/01/47/05/722014705.db2.gz ONNAMBRYDXAJCZ-UHFFFAOYSA-N 2 2 420.517 3.022 20 0 HGADLP COc1ccc2cc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164974133 722133940 /nfs/dbraw/zinc/13/39/40/722133940.db2.gz CJLGOQXLUZOFCS-REWPJTCUSA-N 2 2 404.514 3.366 20 0 HGADLP COc1ccc2cc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164974133 722133941 /nfs/dbraw/zinc/13/39/41/722133941.db2.gz CJLGOQXLUZOFCS-REWPJTCUSA-N 2 2 404.514 3.366 20 0 HGADLP COc1c(Br)cc(C[NH2+]CCC[NH+]2CCOCC2)cc1Br ZINC000020967615 568460854 /nfs/dbraw/zinc/46/08/54/568460854.db2.gz JVSKKDLIBPHLSM-UHFFFAOYSA-N 2 2 422.161 3.032 20 0 HGADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N)cc(Cl)[nH+]1)CC2 ZINC001164714897 720110976 /nfs/dbraw/zinc/11/09/76/720110976.db2.gz DQEBNSFCCACFNN-GOSISDBHSA-N 2 2 401.942 3.220 20 0 HGADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N)cc(Cl)[nH+]1)CC2 ZINC001164714897 720110984 /nfs/dbraw/zinc/11/09/84/720110984.db2.gz DQEBNSFCCACFNN-GOSISDBHSA-N 2 2 401.942 3.220 20 0 HGADLP COc1ccc2[nH+]c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)cc(C)c2c1 ZINC001164827251 720318786 /nfs/dbraw/zinc/31/87/86/720318786.db2.gz HITASEKRENGDSJ-PKTZIBPZSA-N 2 2 422.573 3.463 20 0 HGADLP CC(C)[N@H+]1[C@@H]2CCN(c3nc(N4CCCCC4)cc[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837400 720567674 /nfs/dbraw/zinc/56/76/74/720567674.db2.gz MGVXQIBBNXAMLL-QHAWAJNXSA-N 2 2 409.582 3.041 20 0 HGADLP CC(C)[N@@H+]1[C@@H]2CCN(c3nc(N4CCCCC4)cc[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837400 720567682 /nfs/dbraw/zinc/56/76/82/720567682.db2.gz MGVXQIBBNXAMLL-QHAWAJNXSA-N 2 2 409.582 3.041 20 0 HGADLP CC(C)[N@@H+]1[C@@H](Cn2cccn2)C[C@H]2CN(c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)CC[C@H]21 ZINC001164836246 720624401 /nfs/dbraw/zinc/62/44/01/720624401.db2.gz FNPIOQHVEOSFQR-CIAFKFPVSA-N 2 2 423.609 3.287 20 0 HGADLP CC(C)[N@H+]1[C@@H](Cn2cccn2)C[C@H]2CN(c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)CC[C@H]21 ZINC001164836246 720624412 /nfs/dbraw/zinc/62/44/12/720624412.db2.gz FNPIOQHVEOSFQR-CIAFKFPVSA-N 2 2 423.609 3.287 20 0 HGADLP C[NH+]1CCN(c2cccc(N3CCc4ncnc(-c5ccc(F)cc5)c4CC3)[nH+]2)CC1 ZINC001164776166 721315554 /nfs/dbraw/zinc/31/55/54/721315554.db2.gz CNNMBKDDHSSFIG-UHFFFAOYSA-N 2 2 418.520 3.035 20 0 HGADLP COc1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)[nH+]c2ccccc21 ZINC001164894419 721425189 /nfs/dbraw/zinc/42/51/89/721425189.db2.gz MLCHYDLLFWWIIH-YADARESESA-N 2 2 410.562 3.009 20 0 HGADLP COc1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)[nH+]c2ccccc21 ZINC001164945850 721977070 /nfs/dbraw/zinc/97/70/70/721977070.db2.gz GQZHOSUDGMWNMT-UHFFFAOYSA-N 2 2 416.525 3.214 20 0 HGADLP COc1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)[nH+]c2ccccc21 ZINC001164945850 721977074 /nfs/dbraw/zinc/97/70/74/721977074.db2.gz GQZHOSUDGMWNMT-UHFFFAOYSA-N 2 2 416.525 3.214 20 0 HGADLP COc1ccc2c[nH+]c(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)cc2c1 ZINC001164947076 721977092 /nfs/dbraw/zinc/97/70/92/721977092.db2.gz NPHSHHYHOMKIDB-UHFFFAOYSA-N 2 2 416.525 3.214 20 0 HGADLP COc1ccc2c[nH+]c(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)cc2c1 ZINC001164947076 721977094 /nfs/dbraw/zinc/97/70/94/721977094.db2.gz NPHSHHYHOMKIDB-UHFFFAOYSA-N 2 2 416.525 3.214 20 0 HGADLP CCOC(=O)c1c(C)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)[nH+]c1C ZINC001164816162 720132033 /nfs/dbraw/zinc/13/20/33/720132033.db2.gz XZPFRTWTTYDDDO-CVDCTZTESA-N 2 2 401.551 3.060 20 0 HGADLP CCOC(=O)c1c(C)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)[nH+]c1C ZINC001164816162 720132036 /nfs/dbraw/zinc/13/20/36/720132036.db2.gz XZPFRTWTTYDDDO-CVDCTZTESA-N 2 2 401.551 3.060 20 0 HGADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N)cc(Cl)[nH+]1)CC2 ZINC001164787659 721456135 /nfs/dbraw/zinc/45/61/35/721456135.db2.gz PCCSWXRTUXTGRW-GOSISDBHSA-N 2 2 408.974 3.051 20 0 HGADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N)cc(Cl)[nH+]1)CC2 ZINC001164787659 721456137 /nfs/dbraw/zinc/45/61/37/721456137.db2.gz PCCSWXRTUXTGRW-GOSISDBHSA-N 2 2 408.974 3.051 20 0 HGADLP CCOC(=O)c1c[nH]c2cc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)[nH+]cc21 ZINC001164908712 721551002 /nfs/dbraw/zinc/55/10/02/721551002.db2.gz QGZZADVWTBGHRX-FUHWJXTLSA-N 2 2 424.476 3.221 20 0 HGADLP CCOC(=O)c1c[nH]c2cc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)[nH+]cc21 ZINC001164908712 721551007 /nfs/dbraw/zinc/55/10/07/721551007.db2.gz QGZZADVWTBGHRX-FUHWJXTLSA-N 2 2 424.476 3.221 20 0 HGADLP CCCN(CCC)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc[nH+]1 ZINC001164802913 721566942 /nfs/dbraw/zinc/56/69/42/721566942.db2.gz ISLDEUIWUIXTSY-DPLHUUCSSA-N 2 2 424.593 3.366 20 0 HGADLP CCCN(CCC)c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc[nH+]1 ZINC001164802913 721566945 /nfs/dbraw/zinc/56/69/45/721566945.db2.gz ISLDEUIWUIXTSY-DPLHUUCSSA-N 2 2 424.593 3.366 20 0 HGADLP CC[NH+](CC)C1CCN(c2cc(N3CCN(c4ccccc4F)CC3)nc[nH+]2)CC1 ZINC001165054532 722006492 /nfs/dbraw/zinc/00/64/92/722006492.db2.gz PLARAHCHIIASAJ-UHFFFAOYSA-N 2 2 412.557 3.253 20 0 HGADLP CC[NH+](CC)C1CCN(c2cc(N3CCN(c4ccccc4F)CC3)[nH+]cn2)CC1 ZINC001165054532 722006496 /nfs/dbraw/zinc/00/64/96/722006496.db2.gz PLARAHCHIIASAJ-UHFFFAOYSA-N 2 2 412.557 3.253 20 0 HGADLP CC(=O)N1CC2(CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC2)c2cc(C)ccc21 ZINC001164988861 722189684 /nfs/dbraw/zinc/18/96/84/722189684.db2.gz KYMIZWTVVHJZLB-UHFFFAOYSA-N 2 2 419.573 3.047 20 0 HGADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694586 719891797 /nfs/dbraw/zinc/89/17/97/719891797.db2.gz AHFHDOZUCKAEBK-UHFFFAOYSA-N 2 2 415.559 3.418 20 0 HGADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694586 719891801 /nfs/dbraw/zinc/89/18/01/719891801.db2.gz AHFHDOZUCKAEBK-UHFFFAOYSA-N 2 2 415.559 3.418 20 0 HGADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(NC3CC3)c(C)c[nH+]1)CC2 ZINC001164709624 720093309 /nfs/dbraw/zinc/09/33/09/720093309.db2.gz BNTLEVMGVWXEKG-NRFANRHFSA-N 2 2 422.577 3.262 20 0 HGADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(NC3CC3)c(C)c[nH+]1)CC2 ZINC001164709624 720093313 /nfs/dbraw/zinc/09/33/13/720093313.db2.gz BNTLEVMGVWXEKG-NRFANRHFSA-N 2 2 422.577 3.262 20 0 HGADLP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(C[NH+](C)C(C)C)nnc3C2)nc1 ZINC001165010349 721720162 /nfs/dbraw/zinc/72/01/62/721720162.db2.gz GKYUWWCPOUFKEB-FQEVSTJZSA-N 2 2 411.598 3.471 20 0 HGADLP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(C[NH+](C)C(C)C)nnc3C2)nc1 ZINC001165010349 721720167 /nfs/dbraw/zinc/72/01/67/721720167.db2.gz GKYUWWCPOUFKEB-FQEVSTJZSA-N 2 2 411.598 3.471 20 0 HGADLP CC[NH+]1CCCC[C@H]1c1ccc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1 ZINC001165010349 721720172 /nfs/dbraw/zinc/72/01/72/721720172.db2.gz GKYUWWCPOUFKEB-FQEVSTJZSA-N 2 2 411.598 3.471 20 0 HGADLP CC[NH+]1CCCC[C@H]1c1ccc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1 ZINC001165010349 721720175 /nfs/dbraw/zinc/72/01/75/721720175.db2.gz GKYUWWCPOUFKEB-FQEVSTJZSA-N 2 2 411.598 3.471 20 0 HGADLP COc1ccc2[nH+]c(N3CCCn4cnc(COCC[NH+](C)C)c4C3)cc(C)c2c1 ZINC001165002549 722253901 /nfs/dbraw/zinc/25/39/01/722253901.db2.gz PROZOUWUPCEKJX-UHFFFAOYSA-N 2 2 409.534 3.237 20 0 HGADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1NCC1CC1 ZINC001164836531 720504671 /nfs/dbraw/zinc/50/46/71/720504671.db2.gz MXTPSYUJSWEXIA-NJDAHSKKSA-N 2 2 409.582 3.181 20 0 HGADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1NCC1CC1 ZINC001164836531 720504673 /nfs/dbraw/zinc/50/46/73/720504673.db2.gz MXTPSYUJSWEXIA-NJDAHSKKSA-N 2 2 409.582 3.181 20 0 HGADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842211 720580704 /nfs/dbraw/zinc/58/07/04/720580704.db2.gz UMDXKJOVRYTKOS-PJVMXSJMSA-N 2 2 423.561 3.151 20 0 HGADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164842211 720580729 /nfs/dbraw/zinc/58/07/29/720580729.db2.gz UMDXKJOVRYTKOS-PJVMXSJMSA-N 2 2 423.561 3.151 20 0 HGADLP CC(C)[N@@H+]1[C@@H](Cn2cccn2)C[C@@H]2CN(c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)CC[C@H]21 ZINC001164836250 720626057 /nfs/dbraw/zinc/62/60/57/720626057.db2.gz FNPIOQHVEOSFQR-GXRSIYKFSA-N 2 2 423.609 3.287 20 0 HGADLP CC(C)[N@H+]1[C@@H](Cn2cccn2)C[C@@H]2CN(c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)CC[C@H]21 ZINC001164836250 720626073 /nfs/dbraw/zinc/62/60/73/720626073.db2.gz FNPIOQHVEOSFQR-GXRSIYKFSA-N 2 2 423.609 3.287 20 0 HGADLP CCc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc(C)[nH+]1 ZINC001164752210 720912604 /nfs/dbraw/zinc/91/26/04/720912604.db2.gz NOBWZPMLPCDHDA-RDGATRHJSA-N 2 2 421.589 3.498 20 0 HGADLP CCc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc(C)[nH+]1 ZINC001164752210 720912612 /nfs/dbraw/zinc/91/26/12/720912612.db2.gz NOBWZPMLPCDHDA-RDGATRHJSA-N 2 2 421.589 3.498 20 0 HGADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4[nH]c(C)c(C)c43)C2)C1 ZINC001164776196 721352416 /nfs/dbraw/zinc/35/24/16/721352416.db2.gz ALEZDMYMSAEIGZ-HSZRJFAPSA-N 2 2 424.549 3.299 20 0 HGADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4[nH]c(C)c(C)c43)C2)C1 ZINC001164776196 721352418 /nfs/dbraw/zinc/35/24/18/721352418.db2.gz ALEZDMYMSAEIGZ-HSZRJFAPSA-N 2 2 424.549 3.299 20 0 HGADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)[nH+]c3c1CCC3)CC2 ZINC001164788590 721463993 /nfs/dbraw/zinc/46/39/93/721463993.db2.gz ULOQPDNVGHDWDP-FQEVSTJZSA-N 2 2 414.594 3.008 20 0 HGADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)[nH+]c3c1CCC3)CC2 ZINC001164788590 721463994 /nfs/dbraw/zinc/46/39/94/721463994.db2.gz ULOQPDNVGHDWDP-FQEVSTJZSA-N 2 2 414.594 3.008 20 0 HGADLP CCCN(CCC)c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc[nH+]1 ZINC001164975196 722131312 /nfs/dbraw/zinc/13/13/12/722131312.db2.gz FNBQVZQZRGRNNN-VXKWHMMOSA-N 2 2 424.593 3.225 20 0 HGADLP CCCN(CCC)c1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc[nH+]1 ZINC001164975196 722131316 /nfs/dbraw/zinc/13/13/16/722131316.db2.gz FNBQVZQZRGRNNN-VXKWHMMOSA-N 2 2 424.593 3.225 20 0 HGADLP CCCN(CCC)c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc[nH+]1 ZINC001164975195 722131486 /nfs/dbraw/zinc/13/14/86/722131486.db2.gz FNBQVZQZRGRNNN-FGZHOGPDSA-N 2 2 424.593 3.225 20 0 HGADLP CCCN(CCC)c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc[nH+]1 ZINC001164975195 722131488 /nfs/dbraw/zinc/13/14/88/722131488.db2.gz FNBQVZQZRGRNNN-FGZHOGPDSA-N 2 2 424.593 3.225 20 0 HGADLP COc1cc2cc[nH+]c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2cc1OC ZINC001164866628 721095515 /nfs/dbraw/zinc/09/55/15/721095515.db2.gz UHOMIZXHWWWKDJ-VQTJNVASSA-N 2 2 420.513 3.127 20 0 HGADLP COc1cc2cc[nH+]c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2cc1OC ZINC001164866628 721095517 /nfs/dbraw/zinc/09/55/17/721095517.db2.gz UHOMIZXHWWWKDJ-VQTJNVASSA-N 2 2 420.513 3.127 20 0 HGADLP COc1cc2cc[nH+]c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2cc1OC ZINC001164866626 721096108 /nfs/dbraw/zinc/09/61/08/721096108.db2.gz UHOMIZXHWWWKDJ-PMACEKPBSA-N 2 2 420.513 3.127 20 0 HGADLP COc1cc2cc[nH+]c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2cc1OC ZINC001164866626 721096118 /nfs/dbraw/zinc/09/61/18/721096118.db2.gz UHOMIZXHWWWKDJ-PMACEKPBSA-N 2 2 420.513 3.127 20 0 HGADLP CCN(CC)c1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc[nH+]1 ZINC001164906796 721715939 /nfs/dbraw/zinc/71/59/39/721715939.db2.gz OJICIGFZRDLAAH-OAQYLSRUSA-N 2 2 416.520 3.456 20 0 HGADLP CCN(CC)c1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc[nH+]1 ZINC001164906796 721715944 /nfs/dbraw/zinc/71/59/44/721715944.db2.gz OJICIGFZRDLAAH-OAQYLSRUSA-N 2 2 416.520 3.456 20 0 HGADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cccc(N3CCOCC3)[nH+]1)C2 ZINC001164909559 721758673 /nfs/dbraw/zinc/75/86/73/721758673.db2.gz HXFKKYSWTVDJOG-UHFFFAOYSA-N 2 2 419.529 3.101 20 0 HGADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cccc(N3CCOCC3)[nH+]1)C2 ZINC001164909559 721758676 /nfs/dbraw/zinc/75/86/76/721758676.db2.gz HXFKKYSWTVDJOG-UHFFFAOYSA-N 2 2 419.529 3.101 20 0 HGADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C(C)(C)C)[nH+]1 ZINC001164744580 720851150 /nfs/dbraw/zinc/85/11/50/720851150.db2.gz KSJJDSIOIPMSOR-VAMGGRTRSA-N 2 2 409.582 3.053 20 0 HGADLP 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COC(=O)/C=C/c1cc(C)c[nH+]c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842213 720579743 /nfs/dbraw/zinc/57/97/43/720579743.db2.gz UMDXKJOVRYTKOS-YDITYBEASA-N 2 2 423.561 3.151 20 0 HGADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164842213 720579751 /nfs/dbraw/zinc/57/97/51/720579751.db2.gz UMDXKJOVRYTKOS-YDITYBEASA-N 2 2 423.561 3.151 20 0 HGADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C(C)(C)C)[nH+]1 ZINC001164744573 720850971 /nfs/dbraw/zinc/85/09/71/720850971.db2.gz KSJJDSIOIPMSOR-HSALFYBXSA-N 2 2 409.582 3.053 20 0 HGADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C(C)(C)C)[nH+]1 ZINC001164744573 720850973 /nfs/dbraw/zinc/85/09/73/720850973.db2.gz KSJJDSIOIPMSOR-HSALFYBXSA-N 2 2 409.582 3.053 20 0 HGADLP c1ncn(C[C@H]2C[C@@H]3CN(c4[nH+]ccc5c6c([nH]c54)CCC6)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164753862 720857471 /nfs/dbraw/zinc/85/74/71/720857471.db2.gz YUWJZZIGOPYDQE-JBYIUTFZSA-N 2 2 417.561 3.023 20 0 HGADLP c1ncn(C[C@H]2C[C@@H]3CN(c4[nH+]ccc5c6c([nH]c54)CCC6)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164753862 720857472 /nfs/dbraw/zinc/85/74/72/720857472.db2.gz YUWJZZIGOPYDQE-JBYIUTFZSA-N 2 2 417.561 3.023 20 0 HGADLP CCc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C)[nH+]1 ZINC001164755921 720897172 /nfs/dbraw/zinc/89/71/72/720897172.db2.gz NFSIOQBUNMEOHB-RDGATRHJSA-N 2 2 421.589 3.498 20 0 HGADLP CCc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C)[nH+]1 ZINC001164755921 720897176 /nfs/dbraw/zinc/89/71/76/720897176.db2.gz NFSIOQBUNMEOHB-RDGATRHJSA-N 2 2 421.589 3.498 20 0 HGADLP CN(C)C(=O)c1cc2c[nH+]c(N3CC4(C3)CC[N@H+](CC3CC3)C4)nc2n1C1CCCC1 ZINC001164772506 721289294 /nfs/dbraw/zinc/28/92/94/721289294.db2.gz IDVMFOBXPJTDIO-UHFFFAOYSA-N 2 2 422.577 3.170 20 0 HGADLP CN(C)C(=O)c1cc2c[nH+]c(N3CC4(C3)CC[N@@H+](CC3CC3)C4)nc2n1C1CCCC1 ZINC001164772506 721289298 /nfs/dbraw/zinc/28/92/98/721289298.db2.gz IDVMFOBXPJTDIO-UHFFFAOYSA-N 2 2 422.577 3.170 20 0 HGADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1[nH+][nH]c(Cl)c3ncnc1-3)C2 ZINC001164909538 721757561 /nfs/dbraw/zinc/75/75/61/721757561.db2.gz HHZANQLZSROBDF-UHFFFAOYSA-N 2 2 409.881 3.189 20 0 HGADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1[nH+][nH]c(Cl)c3ncnc1-3)C2 ZINC001164909538 721757563 /nfs/dbraw/zinc/75/75/63/721757563.db2.gz HHZANQLZSROBDF-UHFFFAOYSA-N 2 2 409.881 3.189 20 0 HGADLP CCOC(=O)c1c(C)cc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)[nH+]c1C ZINC001164617854 719028765 /nfs/dbraw/zinc/02/87/65/719028765.db2.gz QAJPZGXUKLMSQC-UHFFFAOYSA-N 2 2 417.550 3.119 20 0 HGADLP CCCN(CCC)c1cc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)nc[nH+]1 ZINC001164617835 719029223 /nfs/dbraw/zinc/02/92/23/719029223.db2.gz PRNQMVNHHGSHGX-UHFFFAOYSA-N 2 2 417.598 3.347 20 0 HGADLP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)nc1 ZINC001164831046 720398776 /nfs/dbraw/zinc/39/87/76/720398776.db2.gz UHKAUEVHFFPGFU-NRFANRHFSA-N 2 2 420.565 3.265 20 0 HGADLP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)nc1 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ZINC001164890830 721452402 /nfs/dbraw/zinc/45/24/02/721452402.db2.gz SQYOZKIZOAMWGG-UGKGYDQZSA-N 2 2 407.002 3.231 20 0 HGADLP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CC[N@@H+](C(C)(C)c4ccnc(Cl)c4)C3)O2)CC1 ZINC001164890830 721452405 /nfs/dbraw/zinc/45/24/05/721452405.db2.gz SQYOZKIZOAMWGG-UGKGYDQZSA-N 2 2 407.002 3.231 20 0 HGADLP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CC[N@H+](C(C)(C)c4ccnc(Cl)c4)C3)O2)CC1 ZINC001164890830 721452407 /nfs/dbraw/zinc/45/24/07/721452407.db2.gz SQYOZKIZOAMWGG-UGKGYDQZSA-N 2 2 407.002 3.231 20 0 HGADLP C[NH+]1CCN(c2cccc(N3CCC[C@@]4(C[C@@H](OCC5CCCC5)CO4)C3)[nH+]2)CC1 ZINC001164981220 722165407 /nfs/dbraw/zinc/16/54/07/722165407.db2.gz PSBFXACVNRGSIQ-ZJSXRUAMSA-N 2 2 414.594 3.168 20 0 HGADLP C[NH+]1CCN(c2cccc(N3CC[C@@H](OCC4CC4)[C@H]3Cc3ccccc3)[nH+]2)CC1 ZINC001165006839 722271712 /nfs/dbraw/zinc/27/17/12/722271712.db2.gz RLWUDEIWNACUEY-DHIUTWEWSA-N 2 2 406.574 3.450 20 0 HGADLP c1csc(C[N@@H+]2CCOC3(CCN(c4cc[nH+]c(N5CCCCC5)n4)CC3)C2)c1 ZINC001164697661 719897957 /nfs/dbraw/zinc/89/79/57/719897957.db2.gz MRKHUYLIRRNLKA-UHFFFAOYSA-N 2 2 413.591 3.400 20 0 HGADLP c1csc(C[N@H+]2CCOC3(CCN(c4cc[nH+]c(N5CCCCC5)n4)CC3)C2)c1 ZINC001164697661 719897959 /nfs/dbraw/zinc/89/79/59/719897959.db2.gz MRKHUYLIRRNLKA-UHFFFAOYSA-N 2 2 413.591 3.400 20 0 HGADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)[nH+]c3c1CCC3)CC2 ZINC001164711202 720134996 /nfs/dbraw/zinc/13/49/96/720134996.db2.gz FZPRZMMZHCTBBS-HXUWFJFHSA-N 2 2 407.562 3.176 20 0 HGADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)[nH+]c3c1CCC3)CC2 ZINC001164711202 720135003 /nfs/dbraw/zinc/13/50/03/720135003.db2.gz FZPRZMMZHCTBBS-HXUWFJFHSA-N 2 2 407.562 3.176 20 0 HGADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001165011840 721706232 /nfs/dbraw/zinc/70/62/32/721706232.db2.gz ZJKLZFAHQKYIMQ-UHFFFAOYSA-N 2 2 417.989 3.173 20 0 HGADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001165011840 721706237 /nfs/dbraw/zinc/70/62/37/721706237.db2.gz ZJKLZFAHQKYIMQ-UHFFFAOYSA-N 2 2 417.989 3.173 20 0 HGADLP COc1cc2cc[nH+]c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2cc1OC ZINC001164866629 721096409 /nfs/dbraw/zinc/09/64/09/721096409.db2.gz UHOMIZXHWWWKDJ-WOJBJXKFSA-N 2 2 420.513 3.127 20 0 HGADLP COc1cc2cc[nH+]c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2cc1OC ZINC001164866629 721096416 /nfs/dbraw/zinc/09/64/16/721096416.db2.gz UHOMIZXHWWWKDJ-WOJBJXKFSA-N 2 2 420.513 3.127 20 0 HGADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C)[nH+]c(C4CC4)n3)C2)C1 ZINC001164786050 721369486 /nfs/dbraw/zinc/36/94/86/721369486.db2.gz VDGHMOTZVOCOBM-QHCPKHFHSA-N 2 2 411.550 3.386 20 0 HGADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C)[nH+]c(C4CC4)n3)C2)C1 ZINC001164786050 721369489 /nfs/dbraw/zinc/36/94/89/721369489.db2.gz VDGHMOTZVOCOBM-QHCPKHFHSA-N 2 2 411.550 3.386 20 0 HGADLP COc1ccc2c(cc[nH+]c2N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164889252 721395070 /nfs/dbraw/zinc/39/50/70/721395070.db2.gz LHQGQPSLLBPNPS-URXFXBBRSA-N 2 2 410.562 3.009 20 0 HGADLP COc1ccc2c(cc[nH+]c2N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164889252 721395073 /nfs/dbraw/zinc/39/50/73/721395073.db2.gz LHQGQPSLLBPNPS-URXFXBBRSA-N 2 2 410.562 3.009 20 0 HGADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]cc(C)cc1OC)CC2 ZINC001164782832 721464085 /nfs/dbraw/zinc/46/40/85/721464085.db2.gz CSWUFNCYGGDTSD-HXUWFJFHSA-N 2 2 403.567 3.133 20 0 HGADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]cc(C)cc1OC)CC2 ZINC001164782832 721464086 /nfs/dbraw/zinc/46/40/86/721464086.db2.gz CSWUFNCYGGDTSD-HXUWFJFHSA-N 2 2 403.567 3.133 20 0 HGADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)[nH+]c(C3CC3)n1)CC2 ZINC001164791722 721468779 /nfs/dbraw/zinc/46/87/79/721468779.db2.gz XZTYEZXCLCKKKC-NRFANRHFSA-N 2 2 414.594 3.396 20 0 HGADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)[nH+]c(C3CC3)n1)CC2 ZINC001164791722 721468782 /nfs/dbraw/zinc/46/87/82/721468782.db2.gz XZTYEZXCLCKKKC-NRFANRHFSA-N 2 2 414.594 3.396 20 0 HGADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001164790128 721469477 /nfs/dbraw/zinc/46/94/77/721469477.db2.gz RHCOVAJLESXXKP-NRFANRHFSA-N 2 2 402.583 3.136 20 0 HGADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001164790128 721469480 /nfs/dbraw/zinc/46/94/80/721469480.db2.gz RHCOVAJLESXXKP-NRFANRHFSA-N 2 2 402.583 3.136 20 0 HGADLP CCOC(=O)Cc1cc[nH+]c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164795729 721504032 /nfs/dbraw/zinc/50/40/32/721504032.db2.gz MPEHXTLCXAKSGS-UHFFFAOYSA-N 2 2 408.546 3.463 20 0 HGADLP CCOC(=O)Cc1cc[nH+]c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164795729 721504034 /nfs/dbraw/zinc/50/40/34/721504034.db2.gz MPEHXTLCXAKSGS-UHFFFAOYSA-N 2 2 408.546 3.463 20 0 HGADLP CCCN(CCC)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc[nH+]1 ZINC001164802919 721566919 /nfs/dbraw/zinc/56/69/19/721566919.db2.gz ISLDEUIWUIXTSY-ZFGGDYGUSA-N 2 2 424.593 3.366 20 0 HGADLP CCCN(CCC)c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc[nH+]1 ZINC001164802919 721566921 /nfs/dbraw/zinc/56/69/21/721566921.db2.gz ISLDEUIWUIXTSY-ZFGGDYGUSA-N 2 2 424.593 3.366 20 0 HGADLP C[NH+]1CCN(c2cccc(N3CC(c4[nH+]cn5cc(-c6ccoc6)ccc45)C3)[nH+]2)CC1 ZINC001165015618 721767239 /nfs/dbraw/zinc/76/72/39/721767239.db2.gz SQZFCRISNAXCPI-UHFFFAOYSA-N 3 2 414.513 3.345 20 0 HGADLP COc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1NC(C)C ZINC001165024456 721797951 /nfs/dbraw/zinc/79/79/51/721797951.db2.gz LBOFVLSYHXEEIF-YSIASYRMSA-N 2 2 410.566 3.437 20 0 HGADLP COc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1NC(C)C ZINC001165024456 721797955 /nfs/dbraw/zinc/79/79/55/721797955.db2.gz LBOFVLSYHXEEIF-YSIASYRMSA-N 2 2 410.566 3.437 20 0 HGADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2[nH+]ccc(C)c2NC(C)=O)CC1 ZINC001165022046 721843162 /nfs/dbraw/zinc/84/31/62/721843162.db2.gz NWSYYHLNBUTZJK-UHFFFAOYSA-N 2 2 412.534 3.466 20 0 HGADLP COc1ccc2cc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164974125 722134054 /nfs/dbraw/zinc/13/40/54/722134054.db2.gz CJLGOQXLUZOFCS-NFBKMPQASA-N 2 2 404.514 3.366 20 0 HGADLP COc1ccc2cc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164974125 722134061 /nfs/dbraw/zinc/13/40/61/722134061.db2.gz CJLGOQXLUZOFCS-NFBKMPQASA-N 2 2 404.514 3.366 20 0 HGADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4O[C@H](c5nc(C6CC6)cs5)C[C@H]4C3)[nH+]2)CC1 ZINC001164645563 719289604 /nfs/dbraw/zinc/28/96/04/719289604.db2.gz KMJKKDFAPAVUGT-WDSOQIARSA-N 2 2 411.575 3.134 20 0 HGADLP CCOC(=O)c1c(C)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)[nH+]c1C ZINC001164816161 720132610 /nfs/dbraw/zinc/13/26/10/720132610.db2.gz XZPFRTWTTYDDDO-AUSIDOKSSA-N 2 2 401.551 3.060 20 0 HGADLP CCOC(=O)c1c(C)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)[nH+]c1C ZINC001164816161 720132620 /nfs/dbraw/zinc/13/26/20/720132620.db2.gz XZPFRTWTTYDDDO-AUSIDOKSSA-N 2 2 401.551 3.060 20 0 HGADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(Cl)c(N)[nH+]1)CC2 ZINC001164715631 720156878 /nfs/dbraw/zinc/15/68/78/720156878.db2.gz VMCFAGPTIFIUSS-KRWDZBQOSA-N 2 2 401.942 3.220 20 0 HGADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(Cl)c(N)[nH+]1)CC2 ZINC001164715631 720156888 /nfs/dbraw/zinc/15/68/88/720156888.db2.gz VMCFAGPTIFIUSS-KRWDZBQOSA-N 2 2 401.942 3.220 20 0 HGADLP COc1ccc2[nH+]c(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)cc(C)c2c1 ZINC001164827253 720318275 /nfs/dbraw/zinc/31/82/75/720318275.db2.gz HITASEKRENGDSJ-XZOQPEGZSA-N 2 2 422.573 3.463 20 0 HGADLP COC(=O)c1ccc(-c2ccc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)[nH+]c2C)cc1 ZINC001164734219 720522586 /nfs/dbraw/zinc/52/25/86/720522586.db2.gz OFCRHRBYJKHGNM-GOSISDBHSA-N 2 2 419.529 3.238 20 0 HGADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(N4CCCCC4)cc[nH+]3)CC[C@@H]21 ZINC001164837397 720569185 /nfs/dbraw/zinc/56/91/85/720569185.db2.gz MGVXQIBBNXAMLL-ACRUOGEOSA-N 2 2 409.582 3.041 20 0 HGADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(N4CCCCC4)cc[nH+]3)CC[C@@H]21 ZINC001164837397 720569189 /nfs/dbraw/zinc/56/91/89/720569189.db2.gz MGVXQIBBNXAMLL-ACRUOGEOSA-N 2 2 409.582 3.041 20 0 HGADLP CC(C)[N@H+]1[C@@H]2CCN(c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836248 720625231 /nfs/dbraw/zinc/62/52/31/720625231.db2.gz FNPIOQHVEOSFQR-CLAROIROSA-N 2 2 423.609 3.287 20 0 HGADLP CC(C)[N@@H+]1[C@@H]2CCN(c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836248 720625240 /nfs/dbraw/zinc/62/52/40/720625240.db2.gz FNPIOQHVEOSFQR-CLAROIROSA-N 2 2 423.609 3.287 20 0 HGADLP COc1ccc2c[nH+]c(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)cc2c1 ZINC001164894937 721424998 /nfs/dbraw/zinc/42/49/98/721424998.db2.gz NOSRTIFNERBKRT-LADGPHEKSA-N 2 2 410.562 3.009 20 0 HGADLP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1NC(C)C ZINC001164959435 722051950 /nfs/dbraw/zinc/05/19/50/722051950.db2.gz JGUVZNHBOUVZKO-UHFFFAOYSA-N 2 2 410.566 3.119 20 0 HGADLP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1NC(C)C ZINC001164959435 722051951 /nfs/dbraw/zinc/05/19/51/722051951.db2.gz JGUVZNHBOUVZKO-UHFFFAOYSA-N 2 2 410.566 3.119 20 0 HGADLP CC(C)c1nccc([C@@H]2C[C@@H]3CCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@H]3O2)n1 ZINC001164638271 719261798 /nfs/dbraw/zinc/26/17/98/719261798.db2.gz OEMFDMGDVXMSDB-SESVDKBCSA-N 2 2 422.577 3.103 20 0 HGADLP c1csc(C[N@@H+]2CCOC3(CCN(c4nc(N5CCCCC5)cc[nH+]4)CC3)C2)c1 ZINC001164697517 719895096 /nfs/dbraw/zinc/89/50/96/719895096.db2.gz KMSZFTANWADNKV-UHFFFAOYSA-N 2 2 413.591 3.400 20 0 HGADLP c1csc(C[N@H+]2CCOC3(CCN(c4nc(N5CCCCC5)cc[nH+]4)CC3)C2)c1 ZINC001164697517 719895097 /nfs/dbraw/zinc/89/50/97/719895097.db2.gz KMSZFTANWADNKV-UHFFFAOYSA-N 2 2 413.591 3.400 20 0 HGADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(Cl)c(N)[nH+]1)CC2 ZINC001164715632 720156486 /nfs/dbraw/zinc/15/64/86/720156486.db2.gz VMCFAGPTIFIUSS-QGZVFWFLSA-N 2 2 401.942 3.220 20 0 HGADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(Cl)c(N)[nH+]1)CC2 ZINC001164715632 720156491 /nfs/dbraw/zinc/15/64/91/720156491.db2.gz VMCFAGPTIFIUSS-QGZVFWFLSA-N 2 2 401.942 3.220 20 0 HGADLP COc1ccc2[nH+]c(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)cc(C)c2c1 ZINC001164827246 720318585 /nfs/dbraw/zinc/31/85/85/720318585.db2.gz HITASEKRENGDSJ-DHIUTWEWSA-N 2 2 422.573 3.463 20 0 HGADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164833740 720540227 /nfs/dbraw/zinc/54/02/27/720540227.db2.gz BMNKJENTPZWOOL-HSALFYBXSA-N 2 2 411.550 3.059 20 0 HGADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164833740 720540235 /nfs/dbraw/zinc/54/02/35/720540235.db2.gz BMNKJENTPZWOOL-HSALFYBXSA-N 2 2 411.550 3.059 20 0 HGADLP COc1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)[nH+]c2ccccc21 ZINC001164894416 721425406 /nfs/dbraw/zinc/42/54/06/721425406.db2.gz MLCHYDLLFWWIIH-CYFREDJKSA-N 2 2 410.562 3.009 20 0 HGADLP CCOC(=O)c1c[nH]c2cc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)[nH+]cc21 ZINC001164908715 721551095 /nfs/dbraw/zinc/55/10/95/721551095.db2.gz QGZZADVWTBGHRX-SJLPKXTDSA-N 2 2 424.476 3.221 20 0 HGADLP CCOC(=O)c1c[nH]c2cc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)[nH+]cc21 ZINC001164908715 721551098 /nfs/dbraw/zinc/55/10/98/721551098.db2.gz QGZZADVWTBGHRX-SJLPKXTDSA-N 2 2 424.476 3.221 20 0 HGADLP Cc1c[nH+]c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1NC1CC1 ZINC001164906310 721582544 /nfs/dbraw/zinc/58/25/44/721582544.db2.gz ZXDZWESYJZVKLI-OAQYLSRUSA-N 2 2 414.504 3.492 20 0 HGADLP Cc1c[nH+]c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1NC1CC1 ZINC001164906310 721582547 /nfs/dbraw/zinc/58/25/47/721582547.db2.gz ZXDZWESYJZVKLI-OAQYLSRUSA-N 2 2 414.504 3.492 20 0 HGADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCSCC4)nc[nH+]3)C[C@H]21 ZINC001165025655 721827882 /nfs/dbraw/zinc/82/78/82/721827882.db2.gz NFDIDNQRUIJKDH-HMXCVIKNSA-N 2 2 424.618 3.162 20 0 HGADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCSCC4)nc[nH+]3)C[C@H]21 ZINC001165025655 721827883 /nfs/dbraw/zinc/82/78/83/721827883.db2.gz NFDIDNQRUIJKDH-HMXCVIKNSA-N 2 2 424.618 3.162 20 0 HGADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)C[C@H]21 ZINC001165025655 721827884 /nfs/dbraw/zinc/82/78/84/721827884.db2.gz NFDIDNQRUIJKDH-HMXCVIKNSA-N 2 2 424.618 3.162 20 0 HGADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)C[C@H]21 ZINC001165025655 721827885 /nfs/dbraw/zinc/82/78/85/721827885.db2.gz NFDIDNQRUIJKDH-HMXCVIKNSA-N 2 2 424.618 3.162 20 0 HGADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(NC3CC3)c(C)c[nH+]2)CC1 ZINC001165018358 721837720 /nfs/dbraw/zinc/83/77/20/721837720.db2.gz XWULSTDIIQZUMW-UHFFFAOYSA-N 2 2 411.550 3.477 20 0 HGADLP COc1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)[nH+]c2ccccc21 ZINC001164813986 720231057 /nfs/dbraw/zinc/23/10/57/720231057.db2.gz SQCWDCUVDICGKR-UHFFFAOYSA-N 2 2 407.518 3.051 20 0 HGADLP COc1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)[nH+]c2ccccc21 ZINC001164813986 720231060 /nfs/dbraw/zinc/23/10/60/720231060.db2.gz SQCWDCUVDICGKR-UHFFFAOYSA-N 2 2 407.518 3.051 20 0 HGADLP COc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164741155 720841137 /nfs/dbraw/zinc/84/11/37/720841137.db2.gz DLMMKNISAILCOA-TXTKFYIRSA-N 2 2 418.545 3.214 20 0 HGADLP COc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164741155 720841141 /nfs/dbraw/zinc/84/11/41/720841141.db2.gz DLMMKNISAILCOA-TXTKFYIRSA-N 2 2 418.545 3.214 20 0 HGADLP Cc1cccc(N2CCC[C@@]3(C2)CN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)CCO3)c1 ZINC001164774524 721304838 /nfs/dbraw/zinc/30/48/38/721304838.db2.gz DZIVKSWTPBQPAB-RUZDIDTESA-N 2 2 421.589 3.018 20 0 HGADLP CCN(C)c1cc[nH+]c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164902975 721582940 /nfs/dbraw/zinc/58/29/40/721582940.db2.gz KCXUCWILZLLYFU-FQEVSTJZSA-N 2 2 402.493 3.065 20 0 HGADLP CCN(C)c1cc[nH+]c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164902975 721582943 /nfs/dbraw/zinc/58/29/43/721582943.db2.gz KCXUCWILZLLYFU-FQEVSTJZSA-N 2 2 402.493 3.065 20 0 HGADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]ccc(C)c1NC(C)=O)CC2 ZINC001164713937 720136992 /nfs/dbraw/zinc/13/69/92/720136992.db2.gz UGAXUGYFLIAHQJ-NRFANRHFSA-N 2 2 423.561 3.251 20 0 HGADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]ccc(C)c1NC(C)=O)CC2 ZINC001164713937 720136998 /nfs/dbraw/zinc/13/69/98/720136998.db2.gz UGAXUGYFLIAHQJ-NRFANRHFSA-N 2 2 423.561 3.251 20 0 HGADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3c(cc(OC)cc3OC)[nH+]1)C2 ZINC001164815198 720194957 /nfs/dbraw/zinc/19/49/57/720194957.db2.gz WWCCQCFEMAOHKJ-UUOWRZLLSA-N 2 2 411.546 3.437 20 0 HGADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3c(cc(OC)cc3OC)[nH+]1)C2 ZINC001164815198 720194966 /nfs/dbraw/zinc/19/49/66/720194966.db2.gz WWCCQCFEMAOHKJ-UUOWRZLLSA-N 2 2 411.546 3.437 20 0 HGADLP CCOC(=O)Cc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165019705 721831426 /nfs/dbraw/zinc/83/14/26/721831426.db2.gz BHNAZBDZCGCNPR-NNWRFLSQSA-N 2 2 408.546 3.319 20 0 HGADLP CCOC(=O)Cc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165019705 721831429 /nfs/dbraw/zinc/83/14/29/721831429.db2.gz BHNAZBDZCGCNPR-NNWRFLSQSA-N 2 2 408.546 3.319 20 0 HGADLP CC(C)c1nccc([C@@H]2C[C@H]3CCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@@H]3O2)n1 ZINC001164638264 719261569 /nfs/dbraw/zinc/26/15/69/719261569.db2.gz OEMFDMGDVXMSDB-GIVPXCGWSA-N 2 2 422.577 3.103 20 0 HGADLP CC(C)c1nccc([C@@H]2C[C@@H]3CCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@@H]3O2)n1 ZINC001164638268 719261778 /nfs/dbraw/zinc/26/17/78/719261778.db2.gz OEMFDMGDVXMSDB-JBACZVJFSA-N 2 2 422.577 3.103 20 0 HGADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4O[C@@H](c5nc(C6CC6)cs5)C[C@H]4C3)[nH+]2)CC1 ZINC001164645562 719289438 /nfs/dbraw/zinc/28/94/38/719289438.db2.gz KMJKKDFAPAVUGT-UHOSZYNNSA-N 2 2 411.575 3.134 20 0 HGADLP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)ccc2C[NH+]2CCCC2)c2c1CC[NH2+]C2 ZINC001164681205 719626609 /nfs/dbraw/zinc/62/66/09/719626609.db2.gz CZUCNLLCHQMAMO-UHFFFAOYSA-N 3 2 402.974 3.002 20 0 HGADLP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)ccc2C[NH+]2CCCC2)c2c1CC[NH2+]C2 ZINC001164681205 719626618 /nfs/dbraw/zinc/62/66/18/719626618.db2.gz CZUCNLLCHQMAMO-UHFFFAOYSA-N 3 2 402.974 3.002 20 0 HGADLP CC(C)N(C)Cc1nn(-c2nc(Cl)ccc2C[NH+]2CCCC2)c2c1CC[NH2+]C2 ZINC001164681205 719626627 /nfs/dbraw/zinc/62/66/27/719626627.db2.gz CZUCNLLCHQMAMO-UHFFFAOYSA-N 2 2 402.974 3.002 20 0 HGADLP CCN(CC)c1cc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc[nH+]1 ZINC001164712258 720129660 /nfs/dbraw/zinc/12/96/60/720129660.db2.gz LZAXOWXZLUYQDK-NRFANRHFSA-N 2 2 424.593 3.225 20 0 HGADLP CCN(CC)c1cc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc[nH+]1 ZINC001164712258 720129680 /nfs/dbraw/zinc/12/96/80/720129680.db2.gz LZAXOWXZLUYQDK-NRFANRHFSA-N 2 2 424.593 3.225 20 0 HGADLP CCN(CC)c1cc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)[nH+]cn1 ZINC001164712258 720129695 /nfs/dbraw/zinc/12/96/95/720129695.db2.gz LZAXOWXZLUYQDK-NRFANRHFSA-N 2 2 424.593 3.225 20 0 HGADLP CCN(CC)c1cc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)[nH+]cn1 ZINC001164712258 720129708 /nfs/dbraw/zinc/12/97/08/720129708.db2.gz LZAXOWXZLUYQDK-NRFANRHFSA-N 2 2 424.593 3.225 20 0 HGADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)[nH+]c3c1CCC3)CC2 ZINC001164711200 720134238 /nfs/dbraw/zinc/13/42/38/720134238.db2.gz FZPRZMMZHCTBBS-FQEVSTJZSA-N 2 2 407.562 3.176 20 0 HGADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)[nH+]c3c1CCC3)CC2 ZINC001164711200 720134248 /nfs/dbraw/zinc/13/42/48/720134248.db2.gz FZPRZMMZHCTBBS-FQEVSTJZSA-N 2 2 407.562 3.176 20 0 HGADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]ccc(C)c1NC(C)=O)CC2 ZINC001164713940 720136971 /nfs/dbraw/zinc/13/69/71/720136971.db2.gz UGAXUGYFLIAHQJ-OAQYLSRUSA-N 2 2 423.561 3.251 20 0 HGADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]ccc(C)c1NC(C)=O)CC2 ZINC001164713940 720136977 /nfs/dbraw/zinc/13/69/77/720136977.db2.gz UGAXUGYFLIAHQJ-OAQYLSRUSA-N 2 2 423.561 3.251 20 0 HGADLP CC(C)[N@H+]1[C@@H]2CCN(c3cc(N4CCCCC4)[nH+]cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842809 720600001 /nfs/dbraw/zinc/60/00/01/720600001.db2.gz VQIQWWVXDKKQRN-PCCBWWKXSA-N 2 2 409.582 3.041 20 0 HGADLP CC(C)[N@@H+]1[C@@H]2CCN(c3cc(N4CCCCC4)[nH+]cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842809 720600005 /nfs/dbraw/zinc/60/00/05/720600005.db2.gz VQIQWWVXDKKQRN-PCCBWWKXSA-N 2 2 409.582 3.041 20 0 HGADLP COc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164741154 720840910 /nfs/dbraw/zinc/84/09/10/720840910.db2.gz DLMMKNISAILCOA-SXWKCWPCSA-N 2 2 418.545 3.214 20 0 HGADLP COc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164741154 720840912 /nfs/dbraw/zinc/84/09/12/720840912.db2.gz DLMMKNISAILCOA-SXWKCWPCSA-N 2 2 418.545 3.214 20 0 HGADLP CCc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc(C)[nH+]1 ZINC001164752204 720912768 /nfs/dbraw/zinc/91/27/68/720912768.db2.gz NOBWZPMLPCDHDA-DHLKQENFSA-N 2 2 421.589 3.498 20 0 HGADLP CCc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc(C)[nH+]1 ZINC001164752204 720912780 /nfs/dbraw/zinc/91/27/80/720912780.db2.gz NOBWZPMLPCDHDA-DHLKQENFSA-N 2 2 421.589 3.498 20 0 HGADLP COc1cc2cc[nH+]c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2cc1OC ZINC001164866627 721096494 /nfs/dbraw/zinc/09/64/94/721096494.db2.gz UHOMIZXHWWWKDJ-UXHICEINSA-N 2 2 420.513 3.127 20 0 HGADLP COc1cc2cc[nH+]c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2cc1OC ZINC001164866627 721096500 /nfs/dbraw/zinc/09/65/00/721096500.db2.gz UHOMIZXHWWWKDJ-UXHICEINSA-N 2 2 420.513 3.127 20 0 HGADLP COc1ccc2c(cc[nH+]c2N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164889254 721395547 /nfs/dbraw/zinc/39/55/47/721395547.db2.gz LHQGQPSLLBPNPS-XUZZJYLKSA-N 2 2 410.562 3.009 20 0 HGADLP COc1ccc2c(cc[nH+]c2N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164889254 721395552 /nfs/dbraw/zinc/39/55/52/721395552.db2.gz LHQGQPSLLBPNPS-XUZZJYLKSA-N 2 2 410.562 3.009 20 0 HGADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]c(C)ccc1OC)CC2 ZINC001164783301 721459082 /nfs/dbraw/zinc/45/90/82/721459082.db2.gz DEOQNHBLVCHATH-HXUWFJFHSA-N 2 2 403.567 3.133 20 0 HGADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]c(C)ccc1OC)CC2 ZINC001164783301 721459085 /nfs/dbraw/zinc/45/90/85/721459085.db2.gz DEOQNHBLVCHATH-HXUWFJFHSA-N 2 2 403.567 3.133 20 0 HGADLP FC1(F)CCN(c2nc(N3CCCC3)cc[nH+]2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164905134 721582793 /nfs/dbraw/zinc/58/27/93/721582793.db2.gz SPHIEJASABZIEE-NRFANRHFSA-N 2 2 414.504 3.210 20 0 HGADLP FC1(F)CCN(c2nc(N3CCCC3)cc[nH+]2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905134 721582795 /nfs/dbraw/zinc/58/27/95/721582795.db2.gz SPHIEJASABZIEE-NRFANRHFSA-N 2 2 414.504 3.210 20 0 HGADLP CCN(C)c1cc(C)[nH+]c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164913407 721742935 /nfs/dbraw/zinc/74/29/35/721742935.db2.gz VCXGLDSQMXYTBV-UHFFFAOYSA-N 2 2 406.534 3.424 20 0 HGADLP CCN(C)c1cc(C)[nH+]c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164913407 721742939 /nfs/dbraw/zinc/74/29/39/721742939.db2.gz VCXGLDSQMXYTBV-UHFFFAOYSA-N 2 2 406.534 3.424 20 0 HGADLP Cc1cccc2cc[nH+]c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c12 ZINC001164914670 721797792 /nfs/dbraw/zinc/79/77/92/721797792.db2.gz PNCCPHMZFLPPDD-DEOSSOPVSA-N 2 2 404.514 3.046 20 0 HGADLP Cc1cccc2cc[nH+]c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c12 ZINC001164914670 721797794 /nfs/dbraw/zinc/79/77/94/721797794.db2.gz PNCCPHMZFLPPDD-DEOSSOPVSA-N 2 2 404.514 3.046 20 0 HGADLP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4[nH+]ccc5c6c([nH]c54)CCC6)CC[C@@H]3C2)c1 ZINC001164971203 722154114 /nfs/dbraw/zinc/15/41/14/722154114.db2.gz BCMJXPGGJVTUHP-XMSQKQJNSA-N 2 2 403.530 3.174 20 0 HGADLP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4[nH+]ccc5c6c([nH]c54)CCC6)CC[C@@H]3C2)c1 ZINC001164971203 722154116 /nfs/dbraw/zinc/15/41/16/722154116.db2.gz BCMJXPGGJVTUHP-XMSQKQJNSA-N 2 2 403.530 3.174 20 0 HGADLP C[NH+]1CCN(c2cccc(N3CCC[C@]4(C[C@@H](OCC5CCCC5)CO4)C3)[nH+]2)CC1 ZINC001164981217 722165378 /nfs/dbraw/zinc/16/53/78/722165378.db2.gz PSBFXACVNRGSIQ-QPPBQGQZSA-N 2 2 414.594 3.168 20 0 HGADLP C[NH+](C)Cc1ccnc(N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)c1 ZINC001164421794 718891062 /nfs/dbraw/zinc/89/10/62/718891062.db2.gz YGUHLVHEYQHJAG-INIZCTEOSA-N 2 2 416.323 3.131 20 0 HGADLP Cc1c[nH+]c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1N1CCCC1 ZINC001164700339 719885937 /nfs/dbraw/zinc/88/59/37/719885937.db2.gz KANSCUFAPNGQGZ-UHFFFAOYSA-N 2 2 413.591 3.318 20 0 HGADLP Cc1c[nH+]c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1N1CCCC1 ZINC001164700339 719885941 /nfs/dbraw/zinc/88/59/41/719885941.db2.gz KANSCUFAPNGQGZ-UHFFFAOYSA-N 2 2 413.591 3.318 20 0 HGADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1NCC1CC1 ZINC001164836533 720504908 /nfs/dbraw/zinc/50/49/08/720504908.db2.gz MXTPSYUJSWEXIA-PWRODBHTSA-N 2 2 409.582 3.181 20 0 HGADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1NCC1CC1 ZINC001164836533 720504914 /nfs/dbraw/zinc/50/49/14/720504914.db2.gz MXTPSYUJSWEXIA-PWRODBHTSA-N 2 2 409.582 3.181 20 0 HGADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842210 720579128 /nfs/dbraw/zinc/57/91/28/720579128.db2.gz UMDXKJOVRYTKOS-LDVMJDGHSA-N 2 2 423.561 3.151 20 0 HGADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164842210 720579139 /nfs/dbraw/zinc/57/91/39/720579139.db2.gz UMDXKJOVRYTKOS-LDVMJDGHSA-N 2 2 423.561 3.151 20 0 HGADLP COc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164741157 720841095 /nfs/dbraw/zinc/84/10/95/720841095.db2.gz DLMMKNISAILCOA-ZRCGQRJVSA-N 2 2 418.545 3.214 20 0 HGADLP COc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164741157 720841098 /nfs/dbraw/zinc/84/10/98/720841098.db2.gz DLMMKNISAILCOA-ZRCGQRJVSA-N 2 2 418.545 3.214 20 0 HGADLP CCc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc(C)[nH+]1 ZINC001164752207 720913175 /nfs/dbraw/zinc/91/31/75/720913175.db2.gz NOBWZPMLPCDHDA-RCZVLFRGSA-N 2 2 421.589 3.498 20 0 HGADLP CCc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc(C)[nH+]1 ZINC001164752207 720913179 /nfs/dbraw/zinc/91/31/79/720913179.db2.gz NOBWZPMLPCDHDA-RCZVLFRGSA-N 2 2 421.589 3.498 20 0 HGADLP Cc1cccc(N2CCC[C@]3(C2)CN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)CCO3)c1 ZINC001164774525 721305100 /nfs/dbraw/zinc/30/51/00/721305100.db2.gz DZIVKSWTPBQPAB-VWLOTQADSA-N 2 2 421.589 3.018 20 0 HGADLP Clc1ccc(C[NH+]2CCCC2)c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164785480 721414028 /nfs/dbraw/zinc/41/40/28/721414028.db2.gz MRQKDVKCSIQKRX-IAGOWNOFSA-N 2 2 403.983 3.356 20 0 HGADLP COc1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)[nH+]c2ccccc21 ZINC001164894417 721425008 /nfs/dbraw/zinc/42/50/08/721425008.db2.gz MLCHYDLLFWWIIH-DVECYGJZSA-N 2 2 410.562 3.009 20 0 HGADLP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2[nH+]cnc3c2ccn3C2CCCC2)CC1 ZINC001165010121 721739386 /nfs/dbraw/zinc/73/93/86/721739386.db2.gz BBKFLIXHUUWHSM-UHFFFAOYSA-N 2 2 410.566 3.069 20 0 HGADLP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1C ZINC000641935156 721918177 /nfs/dbraw/zinc/91/81/77/721918177.db2.gz DNUMRQNDWREELM-SFHVURJKSA-N 2 2 415.607 3.205 20 0 HGADLP COc1ccc2cc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164974128 722134324 /nfs/dbraw/zinc/13/43/24/722134324.db2.gz CJLGOQXLUZOFCS-NZQKXSOJSA-N 2 2 404.514 3.366 20 0 HGADLP COc1ccc2cc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164974128 722134328 /nfs/dbraw/zinc/13/43/28/722134328.db2.gz CJLGOQXLUZOFCS-NZQKXSOJSA-N 2 2 404.514 3.366 20 0 HGADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)CC[C@@H]21 ZINC001164842806 720601239 /nfs/dbraw/zinc/60/12/39/720601239.db2.gz VQIQWWVXDKKQRN-ACRUOGEOSA-N 2 2 409.582 3.041 20 0 HGADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)CC[C@@H]21 ZINC001164842806 720601247 /nfs/dbraw/zinc/60/12/47/720601247.db2.gz VQIQWWVXDKKQRN-ACRUOGEOSA-N 2 2 409.582 3.041 20 0 HGADLP CCCc1cc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc(C)[nH+]1 ZINC001164785314 721358611 /nfs/dbraw/zinc/35/86/11/721358611.db2.gz UJYNPZRHKHGHRH-QHCPKHFHSA-N 2 2 413.566 3.461 20 0 HGADLP CCCc1cc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc(C)[nH+]1 ZINC001164785314 721358621 /nfs/dbraw/zinc/35/86/21/721358621.db2.gz UJYNPZRHKHGHRH-QHCPKHFHSA-N 2 2 413.566 3.461 20 0 HGADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C)[nH+]c(C4CC4)n3)C2)C1 ZINC001164786049 721369540 /nfs/dbraw/zinc/36/95/40/721369540.db2.gz VDGHMOTZVOCOBM-HSZRJFAPSA-N 2 2 411.550 3.386 20 0 HGADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C)[nH+]c(C4CC4)n3)C2)C1 ZINC001164786049 721369543 /nfs/dbraw/zinc/36/95/43/721369543.db2.gz VDGHMOTZVOCOBM-HSZRJFAPSA-N 2 2 411.550 3.386 20 0 HGADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]cnc3[nH]cc(C)c31)CC2 ZINC001164784493 721448495 /nfs/dbraw/zinc/44/84/95/721448495.db2.gz FSSMJQJGIAWKJR-IBGZPJMESA-N 2 2 413.566 3.000 20 0 HGADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]cnc3[nH]cc(C)c31)CC2 ZINC001164784493 721448497 /nfs/dbraw/zinc/44/84/97/721448497.db2.gz FSSMJQJGIAWKJR-IBGZPJMESA-N 2 2 413.566 3.000 20 0 HGADLP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CC[N@@H+](C(C)(C)c4ccnc(Cl)c4)C3)O2)CC1 ZINC001164890829 721452455 /nfs/dbraw/zinc/45/24/55/721452455.db2.gz SQYOZKIZOAMWGG-SIKLNZKXSA-N 2 2 407.002 3.231 20 0 HGADLP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CC[N@H+](C(C)(C)c4ccnc(Cl)c4)C3)O2)CC1 ZINC001164890829 721452457 /nfs/dbraw/zinc/45/24/57/721452457.db2.gz SQYOZKIZOAMWGG-SIKLNZKXSA-N 2 2 407.002 3.231 20 0 HGADLP CN1CC[NH+](C[C@@H]2CCC[C@]3(CC[N@@H+](C(C)(C)c4ccnc(Cl)c4)C3)O2)CC1 ZINC001164890829 721452460 /nfs/dbraw/zinc/45/24/60/721452460.db2.gz SQYOZKIZOAMWGG-SIKLNZKXSA-N 2 2 407.002 3.231 20 0 HGADLP CN1CC[NH+](C[C@@H]2CCC[C@]3(CC[N@H+](C(C)(C)c4ccnc(Cl)c4)C3)O2)CC1 ZINC001164890829 721452462 /nfs/dbraw/zinc/45/24/62/721452462.db2.gz SQYOZKIZOAMWGG-SIKLNZKXSA-N 2 2 407.002 3.231 20 0 HGADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904846 721720846 /nfs/dbraw/zinc/72/08/46/721720846.db2.gz DKHQLVHFUJFYFF-NRFANRHFSA-N 2 2 415.488 3.481 20 0 HGADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904846 721720851 /nfs/dbraw/zinc/72/08/51/721720851.db2.gz DKHQLVHFUJFYFF-NRFANRHFSA-N 2 2 415.488 3.481 20 0 HGADLP Cc1cccc2cc[nH+]c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c12 ZINC001164914671 721797496 /nfs/dbraw/zinc/79/74/96/721797496.db2.gz PNCCPHMZFLPPDD-XMMPIXPASA-N 2 2 404.514 3.046 20 0 HGADLP Cc1cccc2cc[nH+]c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c12 ZINC001164914671 721797499 /nfs/dbraw/zinc/79/74/99/721797499.db2.gz PNCCPHMZFLPPDD-XMMPIXPASA-N 2 2 404.514 3.046 20 0 HGADLP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1C ZINC000641935155 721918386 /nfs/dbraw/zinc/91/83/86/721918386.db2.gz DNUMRQNDWREELM-GOSISDBHSA-N 2 2 415.607 3.205 20 0 HGADLP COc1ccc2c(cc[nH+]c2N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164945951 721971354 /nfs/dbraw/zinc/97/13/54/721971354.db2.gz VBGKDQVYBYUJJT-UHFFFAOYSA-N 2 2 416.525 3.214 20 0 HGADLP COc1ccc2c(cc[nH+]c2N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164945951 721971358 /nfs/dbraw/zinc/97/13/58/721971358.db2.gz VBGKDQVYBYUJJT-UHFFFAOYSA-N 2 2 416.525 3.214 20 0 HGADLP COc1ccc2cc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164974131 722134245 /nfs/dbraw/zinc/13/42/45/722134245.db2.gz CJLGOQXLUZOFCS-OFNKIYASSA-N 2 2 404.514 3.366 20 0 HGADLP COc1ccc2cc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164974131 722134246 /nfs/dbraw/zinc/13/42/46/722134246.db2.gz CJLGOQXLUZOFCS-OFNKIYASSA-N 2 2 404.514 3.366 20 0 HGADLP Cc1cccc2c(C)cc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)[nH+]c12 ZINC001164712382 720169588 /nfs/dbraw/zinc/16/95/88/720169588.db2.gz GBTBUVLDHHVSLR-OAQYLSRUSA-N 2 2 420.561 3.196 20 0 HGADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1NCC1CC1 ZINC001164836532 720504371 /nfs/dbraw/zinc/50/43/71/720504371.db2.gz MXTPSYUJSWEXIA-PCCBWWKXSA-N 2 2 409.582 3.181 20 0 HGADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1NCC1CC1 ZINC001164836532 720504373 /nfs/dbraw/zinc/50/43/73/720504373.db2.gz MXTPSYUJSWEXIA-PCCBWWKXSA-N 2 2 409.582 3.181 20 0 HGADLP COc1ccc2c[nH+]c(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)cc2c1 ZINC001164894938 721425671 /nfs/dbraw/zinc/42/56/71/721425671.db2.gz NOSRTIFNERBKRT-UPVQGACJSA-N 2 2 410.562 3.009 20 0 HGADLP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CC[N@@H+](C(C)(C)c4ccnc(Cl)c4)C3)O2)CC1 ZINC001164890828 721452925 /nfs/dbraw/zinc/45/29/25/721452925.db2.gz SQYOZKIZOAMWGG-KNQAVFIVSA-N 2 2 407.002 3.231 20 0 HGADLP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CC[N@H+](C(C)(C)c4ccnc(Cl)c4)C3)O2)CC1 ZINC001164890828 721452927 /nfs/dbraw/zinc/45/29/27/721452927.db2.gz SQYOZKIZOAMWGG-KNQAVFIVSA-N 2 2 407.002 3.231 20 0 HGADLP CN1CC[NH+](C[C@H]2CCC[C@@]3(CC[N@@H+](C(C)(C)c4ccnc(Cl)c4)C3)O2)CC1 ZINC001164890828 721452931 /nfs/dbraw/zinc/45/29/31/721452931.db2.gz SQYOZKIZOAMWGG-KNQAVFIVSA-N 2 2 407.002 3.231 20 0 HGADLP CN1CC[NH+](C[C@H]2CCC[C@@]3(CC[N@H+](C(C)(C)c4ccnc(Cl)c4)C3)O2)CC1 ZINC001164890828 721452933 /nfs/dbraw/zinc/45/29/33/721452933.db2.gz SQYOZKIZOAMWGG-KNQAVFIVSA-N 2 2 407.002 3.231 20 0 HGADLP CCCN(CCC)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc[nH+]1 ZINC001164802910 721567202 /nfs/dbraw/zinc/56/72/02/721567202.db2.gz ISLDEUIWUIXTSY-AWRGLXIESA-N 2 2 424.593 3.366 20 0 HGADLP CCCN(CCC)c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc[nH+]1 ZINC001164802910 721567205 /nfs/dbraw/zinc/56/72/05/721567205.db2.gz ISLDEUIWUIXTSY-AWRGLXIESA-N 2 2 424.593 3.366 20 0 HGADLP Cc1cncc(COC[C@@]23CCC[C@@H]2CN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)C3)c1 ZINC001164797838 721601292 /nfs/dbraw/zinc/60/12/92/721601292.db2.gz CKHOXLLUJGLCDU-RDGATRHJSA-N 2 2 421.589 3.360 20 0 HGADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(N3CCCC3)cc[nH+]2)CC1 ZINC001165017098 721837666 /nfs/dbraw/zinc/83/76/66/721837666.db2.gz HSGJJBADRIJXGJ-UHFFFAOYSA-N 2 2 411.550 3.195 20 0 HGADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(N5CCCC5)cc[nH+]4)CC3)C2)cc1 ZINC001164938430 721919795 /nfs/dbraw/zinc/91/97/95/721919795.db2.gz OEDBCUNLDKBJCK-UHFFFAOYSA-N 2 2 407.562 3.257 20 0 HGADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(N5CCCC5)cc[nH+]4)CC3)C2)cc1 ZINC001164938430 721919797 /nfs/dbraw/zinc/91/97/97/721919797.db2.gz OEDBCUNLDKBJCK-UHFFFAOYSA-N 2 2 407.562 3.257 20 0 HGADLP C[NH+]1CCN(c2cccc(N3CCC[C@@]4(C[C@H](OCC5CCCC5)CO4)C3)[nH+]2)CC1 ZINC001164981219 722165194 /nfs/dbraw/zinc/16/51/94/722165194.db2.gz PSBFXACVNRGSIQ-XUZZJYLKSA-N 2 2 414.594 3.168 20 0 HGADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4C[C@@H](c5nc(C6CC6)cs5)O[C@@H]4C3)[nH+]2)CC1 ZINC001164645564 719289590 /nfs/dbraw/zinc/28/95/90/719289590.db2.gz KMJKKDFAPAVUGT-YTQUADARSA-N 2 2 411.575 3.134 20 0 HGADLP CCN(C)c1cc(C)[nH+]c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164669720 719491524 /nfs/dbraw/zinc/49/15/24/719491524.db2.gz VIZVUCIUAGVKGS-UHFFFAOYSA-N 2 2 413.541 3.252 20 0 HGADLP CCN(C)c1cc(C)[nH+]c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164669720 719491530 /nfs/dbraw/zinc/49/15/30/719491530.db2.gz VIZVUCIUAGVKGS-UHFFFAOYSA-N 2 2 413.541 3.252 20 0 HGADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3c(cc(OC)cc3OC)[nH+]1)C2 ZINC001164815188 720194842 /nfs/dbraw/zinc/19/48/42/720194842.db2.gz WWCCQCFEMAOHKJ-HOYKHHGWSA-N 2 2 411.546 3.437 20 0 HGADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3c(cc(OC)cc3OC)[nH+]1)C2 ZINC001164815188 720194843 /nfs/dbraw/zinc/19/48/43/720194843.db2.gz WWCCQCFEMAOHKJ-HOYKHHGWSA-N 2 2 411.546 3.437 20 0 HGADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3c(cc(OC)cc3OC)[nH+]1)C2 ZINC001164815192 720194905 /nfs/dbraw/zinc/19/49/05/720194905.db2.gz WWCCQCFEMAOHKJ-MHECFPHRSA-N 2 2 411.546 3.437 20 0 HGADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3c(cc(OC)cc3OC)[nH+]1)C2 ZINC001164815192 720194909 /nfs/dbraw/zinc/19/49/09/720194909.db2.gz WWCCQCFEMAOHKJ-MHECFPHRSA-N 2 2 411.546 3.437 20 0 HGADLP COc1ccc2c[nH+]c(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)cc2c1 ZINC001164813983 720230066 /nfs/dbraw/zinc/23/00/66/720230066.db2.gz SPVLHKOIBXINHK-UHFFFAOYSA-N 2 2 407.518 3.051 20 0 HGADLP COc1ccc2c[nH+]c(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)cc2c1 ZINC001164813983 720230077 /nfs/dbraw/zinc/23/00/77/720230077.db2.gz SPVLHKOIBXINHK-UHFFFAOYSA-N 2 2 407.518 3.051 20 0 HGADLP COc1ccc2[nH+]c(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)cc(C)c2c1 ZINC001164827249 720318457 /nfs/dbraw/zinc/31/84/57/720318457.db2.gz HITASEKRENGDSJ-GOTSBHOMSA-N 2 2 422.573 3.463 20 0 HGADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1NCC1CC1 ZINC001164836534 720504868 /nfs/dbraw/zinc/50/48/68/720504868.db2.gz MXTPSYUJSWEXIA-QHAWAJNXSA-N 2 2 409.582 3.181 20 0 HGADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1NCC1CC1 ZINC001164836534 720504876 /nfs/dbraw/zinc/50/48/76/720504876.db2.gz MXTPSYUJSWEXIA-QHAWAJNXSA-N 2 2 409.582 3.181 20 0 HGADLP FC1(F)CCN(c2nc(N3CCCC3)cc[nH+]2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164905135 721582669 /nfs/dbraw/zinc/58/26/69/721582669.db2.gz SPHIEJASABZIEE-OAQYLSRUSA-N 2 2 414.504 3.210 20 0 HGADLP FC1(F)CCN(c2nc(N3CCCC3)cc[nH+]2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905135 721582670 /nfs/dbraw/zinc/58/26/70/721582670.db2.gz SPHIEJASABZIEE-OAQYLSRUSA-N 2 2 414.504 3.210 20 0 HGADLP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1NCC1CC1 ZINC001164959619 722052005 /nfs/dbraw/zinc/05/20/05/722052005.db2.gz NANJBKZHDDCLDT-UHFFFAOYSA-N 2 2 422.577 3.121 20 0 HGADLP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1NCC1CC1 ZINC001164959619 722052007 /nfs/dbraw/zinc/05/20/07/722052007.db2.gz NANJBKZHDDCLDT-UHFFFAOYSA-N 2 2 422.577 3.121 20 0 HGADLP C[NH+]1CCN(c2cccc(N3CC[C@H](OCC4CC4)[C@H]3Cc3ccccc3)[nH+]2)CC1 ZINC001165006841 722271652 /nfs/dbraw/zinc/27/16/52/722271652.db2.gz RLWUDEIWNACUEY-PKTZIBPZSA-N 2 2 406.574 3.450 20 0 HGADLP CCOC(=O)c1c(C)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)[nH+]c1C ZINC001164816163 720130458 /nfs/dbraw/zinc/13/04/58/720130458.db2.gz XZPFRTWTTYDDDO-WMZHIEFXSA-N 2 2 401.551 3.060 20 0 HGADLP CCOC(=O)c1c(C)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)[nH+]c1C ZINC001164816163 720130462 /nfs/dbraw/zinc/13/04/62/720130462.db2.gz XZPFRTWTTYDDDO-WMZHIEFXSA-N 2 2 401.551 3.060 20 0 HGADLP CC(C)[N@H+]1[C@@H]2CCN(c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836252 720624516 /nfs/dbraw/zinc/62/45/16/720624516.db2.gz FNPIOQHVEOSFQR-YUMYIRISSA-N 2 2 423.609 3.287 20 0 HGADLP CC(C)[N@@H+]1[C@@H]2CCN(c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836252 720624518 /nfs/dbraw/zinc/62/45/18/720624518.db2.gz FNPIOQHVEOSFQR-YUMYIRISSA-N 2 2 423.609 3.287 20 0 HGADLP CCc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C)[nH+]1 ZINC001164755919 720897230 /nfs/dbraw/zinc/89/72/30/720897230.db2.gz NFSIOQBUNMEOHB-DHLKQENFSA-N 2 2 421.589 3.498 20 0 HGADLP CCc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C)[nH+]1 ZINC001164755919 720897233 /nfs/dbraw/zinc/89/72/33/720897233.db2.gz NFSIOQBUNMEOHB-DHLKQENFSA-N 2 2 421.589 3.498 20 0 HGADLP CN(C)C1=[NH+]OC2(C1)CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164880473 721326223 /nfs/dbraw/zinc/32/62/23/721326223.db2.gz XOXKXEOWJWONFW-UHFFFAOYSA-N 2 2 405.546 3.274 20 0 HGADLP CN(C)C1=[NH+]OC2(C1)CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164880473 721326227 /nfs/dbraw/zinc/32/62/27/721326227.db2.gz XOXKXEOWJWONFW-UHFFFAOYSA-N 2 2 405.546 3.274 20 0 HGADLP COc1ccc2c(cc[nH+]c2N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164889256 721395442 /nfs/dbraw/zinc/39/54/42/721395442.db2.gz LHQGQPSLLBPNPS-ZJSXRUAMSA-N 2 2 410.562 3.009 20 0 HGADLP COc1ccc2c(cc[nH+]c2N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164889256 721395443 /nfs/dbraw/zinc/39/54/43/721395443.db2.gz LHQGQPSLLBPNPS-ZJSXRUAMSA-N 2 2 410.562 3.009 20 0 HGADLP COc1ccc2c[nH+]c(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)cc2c1 ZINC001164894936 721425392 /nfs/dbraw/zinc/42/53/92/721425392.db2.gz NOSRTIFNERBKRT-ISKFKSNPSA-N 2 2 410.562 3.009 20 0 HGADLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](C(C)(C)c4ccnc(Cl)c4)C3)O2)CC1 ZINC001164890827 721452351 /nfs/dbraw/zinc/45/23/51/721452351.db2.gz SQYOZKIZOAMWGG-DENIHFKCSA-N 2 2 407.002 3.231 20 0 HGADLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@H+](C(C)(C)c4ccnc(Cl)c4)C3)O2)CC1 ZINC001164890827 721452353 /nfs/dbraw/zinc/45/23/53/721452353.db2.gz SQYOZKIZOAMWGG-DENIHFKCSA-N 2 2 407.002 3.231 20 0 HGADLP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](C(C)(C)c4ccnc(Cl)c4)C3)O2)CC1 ZINC001164890827 721452355 /nfs/dbraw/zinc/45/23/55/721452355.db2.gz SQYOZKIZOAMWGG-DENIHFKCSA-N 2 2 407.002 3.231 20 0 HGADLP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](C(C)(C)c4ccnc(Cl)c4)C3)O2)CC1 ZINC001164890827 721452356 /nfs/dbraw/zinc/45/23/56/721452356.db2.gz SQYOZKIZOAMWGG-DENIHFKCSA-N 2 2 407.002 3.231 20 0 HGADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)[nH+]c(C3CC3)n1)CC2 ZINC001164791723 721468589 /nfs/dbraw/zinc/46/85/89/721468589.db2.gz XZTYEZXCLCKKKC-OAQYLSRUSA-N 2 2 414.594 3.396 20 0 HGADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)[nH+]c(C3CC3)n1)CC2 ZINC001164791723 721468593 /nfs/dbraw/zinc/46/85/93/721468593.db2.gz XZTYEZXCLCKKKC-OAQYLSRUSA-N 2 2 414.594 3.396 20 0 HGADLP COc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1NC(C)C ZINC001165024453 721798130 /nfs/dbraw/zinc/79/81/30/721798130.db2.gz LBOFVLSYHXEEIF-IHPCNDPISA-N 2 2 410.566 3.437 20 0 HGADLP COc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1NC(C)C ZINC001165024453 721798132 /nfs/dbraw/zinc/79/81/32/721798132.db2.gz LBOFVLSYHXEEIF-IHPCNDPISA-N 2 2 410.566 3.437 20 0 HGADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCSCC4)nc[nH+]3)C[C@@H]21 ZINC001165025652 721827938 /nfs/dbraw/zinc/82/79/38/721827938.db2.gz NFDIDNQRUIJKDH-HLAWJBBLSA-N 2 2 424.618 3.162 20 0 HGADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCSCC4)nc[nH+]3)C[C@@H]21 ZINC001165025652 721827940 /nfs/dbraw/zinc/82/79/40/721827940.db2.gz NFDIDNQRUIJKDH-HLAWJBBLSA-N 2 2 424.618 3.162 20 0 HGADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)C[C@@H]21 ZINC001165025652 721827941 /nfs/dbraw/zinc/82/79/41/721827941.db2.gz NFDIDNQRUIJKDH-HLAWJBBLSA-N 2 2 424.618 3.162 20 0 HGADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)C[C@@H]21 ZINC001165025652 721827942 /nfs/dbraw/zinc/82/79/42/721827942.db2.gz NFDIDNQRUIJKDH-HLAWJBBLSA-N 2 2 424.618 3.162 20 0 HGADLP Cc1[nH]c2nc[nH+]c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1C ZINC001164963930 722056923 /nfs/dbraw/zinc/05/69/23/722056923.db2.gz PUUGKOOOSCQUSP-UHFFFAOYSA-N 2 2 406.534 3.089 20 0 HGADLP Cc1[nH]c2nc[nH+]c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2c1C ZINC001164963930 722056925 /nfs/dbraw/zinc/05/69/25/722056925.db2.gz PUUGKOOOSCQUSP-UHFFFAOYSA-N 2 2 406.534 3.089 20 0 HGADLP CCCN(CCC)c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc[nH+]1 ZINC001164975197 722131632 /nfs/dbraw/zinc/13/16/32/722131632.db2.gz FNBQVZQZRGRNNN-YADHBBJMSA-N 2 2 424.593 3.225 20 0 HGADLP CCCN(CCC)c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc[nH+]1 ZINC001164975197 722131635 /nfs/dbraw/zinc/13/16/35/722131635.db2.gz FNBQVZQZRGRNNN-YADHBBJMSA-N 2 2 424.593 3.225 20 0 HGADLP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4[nH+]ccc5c6c([nH]c54)CCC6)CC[C@@H]3C2)c1 ZINC001164971195 722153857 /nfs/dbraw/zinc/15/38/57/722153857.db2.gz BCMJXPGGJVTUHP-GCJKJVERSA-N 2 2 403.530 3.174 20 0 HGADLP c1cncc(C[N@H+]2CCO[C@H]3CN(c4[nH+]ccc5c6c([nH]c54)CCC6)CC[C@@H]3C2)c1 ZINC001164971195 722153861 /nfs/dbraw/zinc/15/38/61/722153861.db2.gz BCMJXPGGJVTUHP-GCJKJVERSA-N 2 2 403.530 3.174 20 0 HGADLP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4[nH+]ccc5c6c([nH]c54)CCC6)CC[C@H]3C2)c1 ZINC001164971192 722153983 /nfs/dbraw/zinc/15/39/83/722153983.db2.gz BCMJXPGGJVTUHP-AVRDEDQJSA-N 2 2 403.530 3.174 20 0 HGADLP c1cncc(C[N@H+]2CCO[C@H]3CN(c4[nH+]ccc5c6c([nH]c54)CCC6)CC[C@H]3C2)c1 ZINC001164971192 722153984 /nfs/dbraw/zinc/15/39/84/722153984.db2.gz BCMJXPGGJVTUHP-AVRDEDQJSA-N 2 2 403.530 3.174 20 0 HGADLP C[NH+]1CCN(c2cccc(N3CCC[C@]4(C[C@H](OCC5CCCC5)CO4)C3)[nH+]2)CC1 ZINC001164981218 722165402 /nfs/dbraw/zinc/16/54/02/722165402.db2.gz PSBFXACVNRGSIQ-URXFXBBRSA-N 2 2 414.594 3.168 20 0 HGADLP CCOC(=O)c1c(C)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)[nH+]c1C ZINC001164816164 720130720 /nfs/dbraw/zinc/13/07/20/720130720.db2.gz XZPFRTWTTYDDDO-XXBNENTESA-N 2 2 401.551 3.060 20 0 HGADLP CCOC(=O)c1c(C)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)[nH+]c1C ZINC001164816164 720130730 /nfs/dbraw/zinc/13/07/30/720130730.db2.gz XZPFRTWTTYDDDO-XXBNENTESA-N 2 2 401.551 3.060 20 0 HGADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3c(cc(OC)cc3OC)[nH+]1)C2 ZINC001164815190 720195411 /nfs/dbraw/zinc/19/54/11/720195411.db2.gz WWCCQCFEMAOHKJ-KOSHJBKYSA-N 2 2 411.546 3.437 20 0 HGADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3c(cc(OC)cc3OC)[nH+]1)C2 ZINC001164815190 720195414 /nfs/dbraw/zinc/19/54/14/720195414.db2.gz WWCCQCFEMAOHKJ-KOSHJBKYSA-N 2 2 411.546 3.437 20 0 HGADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164833754 720540337 /nfs/dbraw/zinc/54/03/37/720540337.db2.gz BMNKJENTPZWOOL-VAMGGRTRSA-N 2 2 411.550 3.059 20 0 HGADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164833754 720540346 /nfs/dbraw/zinc/54/03/46/720540346.db2.gz BMNKJENTPZWOOL-VAMGGRTRSA-N 2 2 411.550 3.059 20 0 HGADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842212 720581510 /nfs/dbraw/zinc/58/15/10/720581510.db2.gz UMDXKJOVRYTKOS-SZJKLMJPSA-N 2 2 423.561 3.151 20 0 HGADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164842212 720581518 /nfs/dbraw/zinc/58/15/18/720581518.db2.gz UMDXKJOVRYTKOS-SZJKLMJPSA-N 2 2 423.561 3.151 20 0 HGADLP CCCc1cc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc(C)[nH+]1 ZINC001164784133 721462923 /nfs/dbraw/zinc/46/29/23/721462923.db2.gz GZOBZNMCCMLCQO-JOCHJYFZSA-N 2 2 416.610 3.471 20 0 HGADLP CCCc1cc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nc(C)[nH+]1 ZINC001164784133 721462926 /nfs/dbraw/zinc/46/29/26/721462926.db2.gz GZOBZNMCCMLCQO-JOCHJYFZSA-N 2 2 416.610 3.471 20 0 HGADLP COc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1NC(C)C ZINC001165024454 721798099 /nfs/dbraw/zinc/79/80/99/721798099.db2.gz LBOFVLSYHXEEIF-SXLOBPIMSA-N 2 2 410.566 3.437 20 0 HGADLP COc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1NC(C)C ZINC001165024454 721798101 /nfs/dbraw/zinc/79/81/01/721798101.db2.gz LBOFVLSYHXEEIF-SXLOBPIMSA-N 2 2 410.566 3.437 20 0 HGADLP COC(=O)c1ccc(-c2ccc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)[nH+]c2C)cc1 ZINC001164966978 722074898 /nfs/dbraw/zinc/07/48/98/722074898.db2.gz HZSKUTBVNKYQEA-OYRHEFFESA-N 2 2 407.514 3.143 20 0 HGADLP COC(=O)c1ccc(-c2ccc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)[nH+]c2C)cc1 ZINC001164966978 722074899 /nfs/dbraw/zinc/07/48/99/722074899.db2.gz HZSKUTBVNKYQEA-OYRHEFFESA-N 2 2 407.514 3.143 20 0 HGADLP CCCN(CCC)c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc[nH+]1 ZINC001164975194 722131766 /nfs/dbraw/zinc/13/17/66/722131766.db2.gz FNBQVZQZRGRNNN-FCHUYYIVSA-N 2 2 424.593 3.225 20 0 HGADLP CCCN(CCC)c1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc[nH+]1 ZINC001164975194 722131767 /nfs/dbraw/zinc/13/17/67/722131767.db2.gz FNBQVZQZRGRNNN-FCHUYYIVSA-N 2 2 424.593 3.225 20 0 HGADLP COc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164828421 720331028 /nfs/dbraw/zinc/33/10/28/720331028.db2.gz JIVCAYYTUDJWNB-FCHUYYIVSA-N 2 2 408.546 3.155 20 0 HGADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164833756 720540582 /nfs/dbraw/zinc/54/05/82/720540582.db2.gz BMNKJENTPZWOOL-XUVXKRRUSA-N 2 2 411.550 3.059 20 0 HGADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164833756 720540588 /nfs/dbraw/zinc/54/05/88/720540588.db2.gz BMNKJENTPZWOOL-XUVXKRRUSA-N 2 2 411.550 3.059 20 0 HGADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001164790129 721469178 /nfs/dbraw/zinc/46/91/78/721469178.db2.gz RHCOVAJLESXXKP-OAQYLSRUSA-N 2 2 402.583 3.136 20 0 HGADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001164790129 721469180 /nfs/dbraw/zinc/46/91/80/721469180.db2.gz RHCOVAJLESXXKP-OAQYLSRUSA-N 2 2 402.583 3.136 20 0 HGADLP CCOC(=O)c1c[nH]c2cc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)[nH+]cc21 ZINC001164908719 721550689 /nfs/dbraw/zinc/55/06/89/721550689.db2.gz QGZZADVWTBGHRX-WMZOPIPTSA-N 2 2 424.476 3.221 20 0 HGADLP CCOC(=O)c1c[nH]c2cc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)[nH+]cc21 ZINC001164908719 721550690 /nfs/dbraw/zinc/55/06/90/721550690.db2.gz QGZZADVWTBGHRX-WMZOPIPTSA-N 2 2 424.476 3.221 20 0 HGADLP Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc(-n4ccnc4)cc[nH+]2)CC3)cc1 ZINC001164678425 719528289 /nfs/dbraw/zinc/52/82/89/719528289.db2.gz KXBPLDLIJJAYDR-UHFFFAOYSA-N 2 2 407.493 3.278 20 0 HGADLP Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc(-n4ccnc4)cc[nH+]2)CC3)cc1 ZINC001164678425 719528296 /nfs/dbraw/zinc/52/82/96/719528296.db2.gz KXBPLDLIJJAYDR-UHFFFAOYSA-N 2 2 407.493 3.278 20 0 HGADLP Cc1ccc2c(C)cc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)[nH+]c2c1C ZINC001164875978 721286245 /nfs/dbraw/zinc/28/62/45/721286245.db2.gz IJLQQYYEDLUTIK-UHFFFAOYSA-N 2 2 424.589 3.167 20 0 HGADLP Cc1ccc2c(C)cc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)[nH+]c2c1C ZINC001164875978 721286254 /nfs/dbraw/zinc/28/62/54/721286254.db2.gz IJLQQYYEDLUTIK-UHFFFAOYSA-N 2 2 424.589 3.167 20 0 HGADLP CCN(CC)c1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc[nH+]1 ZINC001164906794 721715806 /nfs/dbraw/zinc/71/58/06/721715806.db2.gz OJICIGFZRDLAAH-NRFANRHFSA-N 2 2 416.520 3.456 20 0 HGADLP CCN(CC)c1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc[nH+]1 ZINC001164906794 721715810 /nfs/dbraw/zinc/71/58/10/721715810.db2.gz OJICIGFZRDLAAH-NRFANRHFSA-N 2 2 416.520 3.456 20 0 HGADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955833 722020663 /nfs/dbraw/zinc/02/06/63/722020663.db2.gz OJVZHOWOHCRHBE-AATRIKPKSA-N 2 2 406.530 3.464 20 0 HGADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955833 722020665 /nfs/dbraw/zinc/02/06/65/722020665.db2.gz OJVZHOWOHCRHBE-AATRIKPKSA-N 2 2 406.530 3.464 20 0 HGADLP COc1cc2cc[nH+]c(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2cc1F ZINC001165004342 722257858 /nfs/dbraw/zinc/25/78/58/722257858.db2.gz QFIZGXTYSNKJDT-UHFFFAOYSA-N 2 2 413.497 3.068 20 0 HGADLP CC(C)c1nccc([C@@H]2C[C@H]3CCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@H]3O2)n1 ZINC001164638266 719261757 /nfs/dbraw/zinc/26/17/57/719261757.db2.gz OEMFDMGDVXMSDB-HLAWJBBLSA-N 2 2 422.577 3.103 20 0 HGADLP CCOC(=O)Cc1cc[nH+]c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164836916 720727996 /nfs/dbraw/zinc/72/79/96/720727996.db2.gz BVKUADJDPCCYRP-QFIPXVFZSA-N 2 2 423.557 3.447 20 0 HGADLP CCOC(=O)Cc1cc[nH+]c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164836916 720727999 /nfs/dbraw/zinc/72/79/99/720727999.db2.gz BVKUADJDPCCYRP-QFIPXVFZSA-N 2 2 423.557 3.447 20 0 HGADLP COc1ccc2c(cc[nH+]c2N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164889250 721395929 /nfs/dbraw/zinc/39/59/29/721395929.db2.gz LHQGQPSLLBPNPS-QPPBQGQZSA-N 2 2 410.562 3.009 20 0 HGADLP COc1ccc2c(cc[nH+]c2N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164889250 721395932 /nfs/dbraw/zinc/39/59/32/721395932.db2.gz LHQGQPSLLBPNPS-QPPBQGQZSA-N 2 2 410.562 3.009 20 0 HGADLP Clc1ccc(C[NH+]2CCCC2)c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164785477 721414000 /nfs/dbraw/zinc/41/40/00/721414000.db2.gz MRQKDVKCSIQKRX-CALCHBBNSA-N 2 2 403.983 3.356 20 0 HGADLP Clc1ccc(C[NH+]2CCCC2)c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164785477 721414002 /nfs/dbraw/zinc/41/40/02/721414002.db2.gz MRQKDVKCSIQKRX-CALCHBBNSA-N 2 2 403.983 3.356 20 0 HGADLP CCOC(=O)Cc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165019701 721831374 /nfs/dbraw/zinc/83/13/74/721831374.db2.gz BHNAZBDZCGCNPR-BVSLBCMMSA-N 2 2 408.546 3.319 20 0 HGADLP CCOC(=O)Cc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165019701 721831375 /nfs/dbraw/zinc/83/13/75/721831375.db2.gz BHNAZBDZCGCNPR-BVSLBCMMSA-N 2 2 408.546 3.319 20 0 HGADLP C[NH+](C)Cc1ccnc(N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)c1 ZINC001164421796 718891089 /nfs/dbraw/zinc/89/10/89/718891089.db2.gz YGUHLVHEYQHJAG-MRXNPFEDSA-N 2 2 416.323 3.131 20 0 HGADLP Cc1cccc2c(C)cc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)[nH+]c12 ZINC001164712376 720169175 /nfs/dbraw/zinc/16/91/75/720169175.db2.gz GBTBUVLDHHVSLR-NRFANRHFSA-N 2 2 420.561 3.196 20 0 HGADLP COc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164828422 720330895 /nfs/dbraw/zinc/33/08/95/720330895.db2.gz JIVCAYYTUDJWNB-FGZHOGPDSA-N 2 2 408.546 3.155 20 0 HGADLP COc1ccc2cc[nH+]c(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164828423 720331042 /nfs/dbraw/zinc/33/10/42/720331042.db2.gz JIVCAYYTUDJWNB-VXKWHMMOSA-N 2 2 408.546 3.155 20 0 HGADLP CC(C)[N@H+]1[C@@H]2CCN(c3nc(N4CCCCC4)cc[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837399 720568904 /nfs/dbraw/zinc/56/89/04/720568904.db2.gz MGVXQIBBNXAMLL-PCCBWWKXSA-N 2 2 409.582 3.041 20 0 HGADLP CC(C)[N@@H+]1[C@@H]2CCN(c3nc(N4CCCCC4)cc[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837399 720568914 /nfs/dbraw/zinc/56/89/14/720568914.db2.gz MGVXQIBBNXAMLL-PCCBWWKXSA-N 2 2 409.582 3.041 20 0 HGADLP CCOC(=O)Cc1cc[nH+]c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164836915 720728219 /nfs/dbraw/zinc/72/82/19/720728219.db2.gz BVKUADJDPCCYRP-JOCHJYFZSA-N 2 2 423.557 3.447 20 0 HGADLP CCOC(=O)Cc1cc[nH+]c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164836915 720728231 /nfs/dbraw/zinc/72/82/31/720728231.db2.gz BVKUADJDPCCYRP-JOCHJYFZSA-N 2 2 423.557 3.447 20 0 HGADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C(C)(C)C)[nH+]1 ZINC001164744579 720850988 /nfs/dbraw/zinc/85/09/88/720850988.db2.gz KSJJDSIOIPMSOR-SLFFLAALSA-N 2 2 409.582 3.053 20 0 HGADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C(C)(C)C)[nH+]1 ZINC001164744579 720850991 /nfs/dbraw/zinc/85/09/91/720850991.db2.gz KSJJDSIOIPMSOR-SLFFLAALSA-N 2 2 409.582 3.053 20 0 HGADLP c1ncn(C[C@@H]2C[C@H]3CN(c4[nH+]ccc5c6c([nH]c54)CCC6)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164753873 720857735 /nfs/dbraw/zinc/85/77/35/720857735.db2.gz YUWJZZIGOPYDQE-NPPFBWRTSA-N 2 2 417.561 3.023 20 0 HGADLP c1ncn(C[C@@H]2C[C@H]3CN(c4[nH+]ccc5c6c([nH]c54)CCC6)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164753873 720857736 /nfs/dbraw/zinc/85/77/36/720857736.db2.gz YUWJZZIGOPYDQE-NPPFBWRTSA-N 2 2 417.561 3.023 20 0 HGADLP Cc1ccc2c(C)cc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)[nH+]c2c1C ZINC001164795337 721519637 /nfs/dbraw/zinc/51/96/37/721519637.db2.gz NCJKKGXDJAJUDB-UHFFFAOYSA-N 2 2 404.562 3.124 20 0 HGADLP CCOC(=O)c1c[nH]c2cc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)[nH+]cc21 ZINC001164908709 721550895 /nfs/dbraw/zinc/55/08/95/721550895.db2.gz QGZZADVWTBGHRX-AEFFLSMTSA-N 2 2 424.476 3.221 20 0 HGADLP CCOC(=O)c1c[nH]c2cc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)[nH+]cc21 ZINC001164908709 721550898 /nfs/dbraw/zinc/55/08/98/721550898.db2.gz QGZZADVWTBGHRX-AEFFLSMTSA-N 2 2 424.476 3.221 20 0 HGADLP Cc1c[nH+]c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1NC1CC1 ZINC001164906309 721582601 /nfs/dbraw/zinc/58/26/01/721582601.db2.gz ZXDZWESYJZVKLI-NRFANRHFSA-N 2 2 414.504 3.492 20 0 HGADLP Cc1c[nH+]c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1NC1CC1 ZINC001164906309 721582605 /nfs/dbraw/zinc/58/26/05/721582605.db2.gz ZXDZWESYJZVKLI-NRFANRHFSA-N 2 2 414.504 3.492 20 0 HGADLP CCN(C)c1cc[nH+]c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164903020 721582979 /nfs/dbraw/zinc/58/29/79/721582979.db2.gz KCXUCWILZLLYFU-HXUWFJFHSA-N 2 2 402.493 3.065 20 0 HGADLP CCN(C)c1cc[nH+]c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164903020 721582983 /nfs/dbraw/zinc/58/29/83/721582983.db2.gz KCXUCWILZLLYFU-HXUWFJFHSA-N 2 2 402.493 3.065 20 0 HGADLP Cc1cncc(COC[C@@]23CCC[C@H]2CN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)C3)c1 ZINC001164797834 721601349 /nfs/dbraw/zinc/60/13/49/721601349.db2.gz CKHOXLLUJGLCDU-DHLKQENFSA-N 2 2 421.589 3.360 20 0 HGADLP CCOC(=O)Cc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165019702 721831440 /nfs/dbraw/zinc/83/14/40/721831440.db2.gz BHNAZBDZCGCNPR-ILWGZMRPSA-N 2 2 408.546 3.319 20 0 HGADLP CCOC(=O)Cc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165019702 721831442 /nfs/dbraw/zinc/83/14/42/721831442.db2.gz BHNAZBDZCGCNPR-ILWGZMRPSA-N 2 2 408.546 3.319 20 0 HGADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC001165037781 721918160 /nfs/dbraw/zinc/91/81/60/721918160.db2.gz JQYWUGQVGMMVCE-SFHVURJKSA-N 2 2 417.623 3.451 20 0 HGADLP Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]21 ZINC001164952270 722004490 /nfs/dbraw/zinc/00/44/90/722004490.db2.gz MBNNJOPCEHFNEX-PMACEKPBSA-N 2 2 414.557 3.010 20 0 HGADLP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4[nH+]ccc5c6c([nH]c54)CCC6)CC[C@H]3C2)c1 ZINC001164971200 722154001 /nfs/dbraw/zinc/15/40/01/722154001.db2.gz BCMJXPGGJVTUHP-PGRDOPGGSA-N 2 2 403.530 3.174 20 0 HGADLP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4[nH+]ccc5c6c([nH]c54)CCC6)CC[C@H]3C2)c1 ZINC001164971200 722154002 /nfs/dbraw/zinc/15/40/02/722154002.db2.gz BCMJXPGGJVTUHP-PGRDOPGGSA-N 2 2 403.530 3.174 20 0 HGADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N)cc(Cl)[nH+]1)CC2 ZINC001164714898 720110582 /nfs/dbraw/zinc/11/05/82/720110582.db2.gz DQEBNSFCCACFNN-SFHVURJKSA-N 2 2 401.942 3.220 20 0 HGADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N)cc(Cl)[nH+]1)CC2 ZINC001164714898 720110589 /nfs/dbraw/zinc/11/05/89/720110589.db2.gz DQEBNSFCCACFNN-SFHVURJKSA-N 2 2 401.942 3.220 20 0 HGADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)CC[C@@H]21 ZINC001164842808 720600760 /nfs/dbraw/zinc/60/07/60/720600760.db2.gz VQIQWWVXDKKQRN-HKBOAZHASA-N 2 2 409.582 3.041 20 0 HGADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)CC[C@@H]21 ZINC001164842808 720600775 /nfs/dbraw/zinc/60/07/75/720600775.db2.gz VQIQWWVXDKKQRN-HKBOAZHASA-N 2 2 409.582 3.041 20 0 HGADLP c1ncn(C[C@@H]2C[C@@H]3CN(c4[nH+]ccc5c6c([nH]c54)CCC6)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164753866 720857384 /nfs/dbraw/zinc/85/73/84/720857384.db2.gz YUWJZZIGOPYDQE-KGVIQGDOSA-N 2 2 417.561 3.023 20 0 HGADLP c1ncn(C[C@@H]2C[C@@H]3CN(c4[nH+]ccc5c6c([nH]c54)CCC6)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164753866 720857387 /nfs/dbraw/zinc/85/73/87/720857387.db2.gz YUWJZZIGOPYDQE-KGVIQGDOSA-N 2 2 417.561 3.023 20 0 HGADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)[nH+]c3c1CCC3)CC2 ZINC001164788592 721464124 /nfs/dbraw/zinc/46/41/24/721464124.db2.gz ULOQPDNVGHDWDP-HXUWFJFHSA-N 2 2 414.594 3.008 20 0 HGADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)[nH+]c3c1CCC3)CC2 ZINC001164788592 721464125 /nfs/dbraw/zinc/46/41/25/721464125.db2.gz ULOQPDNVGHDWDP-HXUWFJFHSA-N 2 2 414.594 3.008 20 0 HGADLP C[NH+]1CCN(c2cccc(N3CC[C@@H](OCC4CC4)[C@@H]3Cc3ccccc3)[nH+]2)CC1 ZINC001165006842 722271578 /nfs/dbraw/zinc/27/15/78/722271578.db2.gz RLWUDEIWNACUEY-XZOQPEGZSA-N 2 2 406.574 3.450 20 0 HGADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4C[C@H](c5nc(C6CC6)cs5)O[C@@H]4C3)[nH+]2)CC1 ZINC001164645561 719289548 /nfs/dbraw/zinc/28/95/48/719289548.db2.gz KMJKKDFAPAVUGT-QXAKKESOSA-N 2 2 411.575 3.134 20 0 HGADLP CCN(CC)c1cc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc[nH+]1 ZINC001164712259 720130813 /nfs/dbraw/zinc/13/08/13/720130813.db2.gz LZAXOWXZLUYQDK-OAQYLSRUSA-N 2 2 424.593 3.225 20 0 HGADLP CCN(CC)c1cc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc[nH+]1 ZINC001164712259 720130821 /nfs/dbraw/zinc/13/08/21/720130821.db2.gz LZAXOWXZLUYQDK-OAQYLSRUSA-N 2 2 424.593 3.225 20 0 HGADLP CCN(CC)c1cc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)[nH+]cn1 ZINC001164712259 720130828 /nfs/dbraw/zinc/13/08/28/720130828.db2.gz LZAXOWXZLUYQDK-OAQYLSRUSA-N 2 2 424.593 3.225 20 0 HGADLP CCN(CC)c1cc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)[nH+]cn1 ZINC001164712259 720130835 /nfs/dbraw/zinc/13/08/35/720130835.db2.gz LZAXOWXZLUYQDK-OAQYLSRUSA-N 2 2 424.593 3.225 20 0 HGADLP CCCN(CCC)c1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc[nH+]1 ZINC001164807409 720143746 /nfs/dbraw/zinc/14/37/46/720143746.db2.gz CGMYRGZZWIBCLB-NFBKMPQASA-N 2 2 401.599 3.288 20 0 HGADLP CCCN(CCC)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)nc[nH+]1 ZINC001164807409 720143750 /nfs/dbraw/zinc/14/37/50/720143750.db2.gz CGMYRGZZWIBCLB-NFBKMPQASA-N 2 2 401.599 3.288 20 0 HGADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(N4CCCCC4)cc[nH+]3)CC[C@@H]21 ZINC001164837398 720567726 /nfs/dbraw/zinc/56/77/26/720567726.db2.gz MGVXQIBBNXAMLL-HKBOAZHASA-N 2 2 409.582 3.041 20 0 HGADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(N4CCCCC4)cc[nH+]3)CC[C@@H]21 ZINC001164837398 720567749 /nfs/dbraw/zinc/56/77/49/720567749.db2.gz MGVXQIBBNXAMLL-HKBOAZHASA-N 2 2 409.582 3.041 20 0 HGADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N)cc(Cl)[nH+]1)CC2 ZINC001164787663 721457387 /nfs/dbraw/zinc/45/73/87/721457387.db2.gz PCCSWXRTUXTGRW-SFHVURJKSA-N 2 2 408.974 3.051 20 0 HGADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N)cc(Cl)[nH+]1)CC2 ZINC001164787663 721457388 /nfs/dbraw/zinc/45/73/88/721457388.db2.gz PCCSWXRTUXTGRW-SFHVURJKSA-N 2 2 408.974 3.051 20 0 HGADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCSCC3)nc[nH+]1)CC2 ZINC001164796809 721502340 /nfs/dbraw/zinc/50/23/40/721502340.db2.gz YWBLDWNYVMTOEJ-UHFFFAOYSA-N 2 2 424.618 3.306 20 0 HGADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCSCC3)nc[nH+]1)CC2 ZINC001164796809 721502344 /nfs/dbraw/zinc/50/23/44/721502344.db2.gz YWBLDWNYVMTOEJ-UHFFFAOYSA-N 2 2 424.618 3.306 20 0 HGADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCSCC3)[nH+]cn1)CC2 ZINC001164796809 721502347 /nfs/dbraw/zinc/50/23/47/721502347.db2.gz YWBLDWNYVMTOEJ-UHFFFAOYSA-N 2 2 424.618 3.306 20 0 HGADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCSCC3)[nH+]cn1)CC2 ZINC001164796809 721502352 /nfs/dbraw/zinc/50/23/52/721502352.db2.gz YWBLDWNYVMTOEJ-UHFFFAOYSA-N 2 2 424.618 3.306 20 0 HGADLP CCCN(CCC)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc[nH+]1 ZINC001164802916 721567568 /nfs/dbraw/zinc/56/75/68/721567568.db2.gz ISLDEUIWUIXTSY-HFMPRLQTSA-N 2 2 424.593 3.366 20 0 HGADLP CCCN(CCC)c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc[nH+]1 ZINC001164802916 721567570 /nfs/dbraw/zinc/56/75/70/721567570.db2.gz ISLDEUIWUIXTSY-HFMPRLQTSA-N 2 2 424.593 3.366 20 0 HGADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904848 721720645 /nfs/dbraw/zinc/72/06/45/721720645.db2.gz DKHQLVHFUJFYFF-OAQYLSRUSA-N 2 2 415.488 3.481 20 0 HGADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904848 721720659 /nfs/dbraw/zinc/72/06/59/721720659.db2.gz DKHQLVHFUJFYFF-OAQYLSRUSA-N 2 2 415.488 3.481 20 0 HGADLP Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]21 ZINC001164952274 722004577 /nfs/dbraw/zinc/00/45/77/722004577.db2.gz MBNNJOPCEHFNEX-VQTJNVASSA-N 2 2 414.557 3.010 20 0 HGADLP C[NH+]1CCN(c2cccc(N3CC[C@H](OCC4CC4)[C@@H]3Cc3ccccc3)[nH+]2)CC1 ZINC001165006840 722271814 /nfs/dbraw/zinc/27/18/14/722271814.db2.gz RLWUDEIWNACUEY-GOTSBHOMSA-N 2 2 406.574 3.450 20 0 HGADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]cc(C)cc1OC)CC2 ZINC001164782831 721463974 /nfs/dbraw/zinc/46/39/74/721463974.db2.gz CSWUFNCYGGDTSD-FQEVSTJZSA-N 2 2 403.567 3.133 20 0 HGADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]cc(C)cc1OC)CC2 ZINC001164782831 721463975 /nfs/dbraw/zinc/46/39/75/721463975.db2.gz CSWUFNCYGGDTSD-FQEVSTJZSA-N 2 2 403.567 3.133 20 0 HGADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4CC[C@H](C3)C4C(=O)Nc3cccc(F)c3)[nH+]2)CC1 ZINC001164904984 721571896 /nfs/dbraw/zinc/57/18/96/721571896.db2.gz WQMKEBBBKAVFHJ-NHJWOMDBSA-N 2 2 423.536 3.074 20 0 HGADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955834 722020684 /nfs/dbraw/zinc/02/06/84/722020684.db2.gz OJVZHOWOHCRHBE-WAYWQWQTSA-N 2 2 406.530 3.464 20 0 HGADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955834 722020686 /nfs/dbraw/zinc/02/06/86/722020686.db2.gz OJVZHOWOHCRHBE-WAYWQWQTSA-N 2 2 406.530 3.464 20 0 HGADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c12 ZINC001164966661 722075092 /nfs/dbraw/zinc/07/50/92/722075092.db2.gz FPICEKNVENTQNZ-SZPZYZBQSA-N 2 2 417.557 3.396 20 0 HGADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c12 ZINC001164966661 722075093 /nfs/dbraw/zinc/07/50/93/722075093.db2.gz FPICEKNVENTQNZ-SZPZYZBQSA-N 2 2 417.557 3.396 20 0 HGADLP COc1ccc2cc[nH+]c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164828424 720331569 /nfs/dbraw/zinc/33/15/69/720331569.db2.gz JIVCAYYTUDJWNB-YADHBBJMSA-N 2 2 408.546 3.155 20 0 HGADLP COc1cc2[nH+]c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)ccc2c(OC)c1 ZINC001164746284 720594417 /nfs/dbraw/zinc/59/44/17/720594417.db2.gz WXJOZQYEGRONMU-UHFFFAOYSA-N 2 2 407.518 3.107 20 0 HGADLP COc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164741152 720841254 /nfs/dbraw/zinc/84/12/54/720841254.db2.gz DLMMKNISAILCOA-MIZPHKNDSA-N 2 2 418.545 3.214 20 0 HGADLP COc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164741152 720841255 /nfs/dbraw/zinc/84/12/55/720841255.db2.gz DLMMKNISAILCOA-MIZPHKNDSA-N 2 2 418.545 3.214 20 0 HGADLP c1ncn(C[C@H]2C[C@H]3CN(c4[nH+]ccc5c6c([nH]c54)CCC6)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164753870 720857863 /nfs/dbraw/zinc/85/78/63/720857863.db2.gz YUWJZZIGOPYDQE-NJNPRVFISA-N 2 2 417.561 3.023 20 0 HGADLP c1ncn(C[C@H]2C[C@H]3CN(c4[nH+]ccc5c6c([nH]c54)CCC6)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164753870 720857864 /nfs/dbraw/zinc/85/78/64/720857864.db2.gz YUWJZZIGOPYDQE-NJNPRVFISA-N 2 2 417.561 3.023 20 0 HGADLP CCc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C)[nH+]1 ZINC001164755920 720897541 /nfs/dbraw/zinc/89/75/41/720897541.db2.gz NFSIOQBUNMEOHB-RCZVLFRGSA-N 2 2 421.589 3.498 20 0 HGADLP CCc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C)[nH+]1 ZINC001164755920 720897542 /nfs/dbraw/zinc/89/75/42/720897542.db2.gz NFSIOQBUNMEOHB-RCZVLFRGSA-N 2 2 421.589 3.498 20 0 HGADLP CCc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc(C)[nH+]1 ZINC001164752212 720912344 /nfs/dbraw/zinc/91/23/44/720912344.db2.gz NOBWZPMLPCDHDA-WIOPSUGQSA-N 2 2 421.589 3.498 20 0 HGADLP CCc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc(C)[nH+]1 ZINC001164752212 720912354 /nfs/dbraw/zinc/91/23/54/720912354.db2.gz NOBWZPMLPCDHDA-WIOPSUGQSA-N 2 2 421.589 3.498 20 0 HGADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]c(C)ccc1OC)CC2 ZINC001164783300 721458946 /nfs/dbraw/zinc/45/89/46/721458946.db2.gz DEOQNHBLVCHATH-FQEVSTJZSA-N 2 2 403.567 3.133 20 0 HGADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]c(C)ccc1OC)CC2 ZINC001164783300 721458947 /nfs/dbraw/zinc/45/89/47/721458947.db2.gz DEOQNHBLVCHATH-FQEVSTJZSA-N 2 2 403.567 3.133 20 0 HGADLP CCCc1cc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc(C)[nH+]1 ZINC001164784142 721463129 /nfs/dbraw/zinc/46/31/29/721463129.db2.gz GZOBZNMCCMLCQO-QFIPXVFZSA-N 2 2 416.610 3.471 20 0 HGADLP CCCc1cc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nc(C)[nH+]1 ZINC001164784142 721463132 /nfs/dbraw/zinc/46/31/32/721463132.db2.gz GZOBZNMCCMLCQO-QFIPXVFZSA-N 2 2 416.610 3.471 20 0 HGADLP Cc1cncc(COC[C@]23CCC[C@@H]2CN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)C3)c1 ZINC001164797836 721601234 /nfs/dbraw/zinc/60/12/34/721601234.db2.gz CKHOXLLUJGLCDU-RCZVLFRGSA-N 2 2 421.589 3.360 20 0 HGADLP Cc1cncc(COC[C@]23CCC[C@H]2CN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)C3)c1 ZINC001164797840 721601324 /nfs/dbraw/zinc/60/13/24/721601324.db2.gz CKHOXLLUJGLCDU-WIOPSUGQSA-N 2 2 421.589 3.360 20 0 HGADLP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(C[NH+](C)C(C)C)nnc3C2)nc1 ZINC001165010353 721719651 /nfs/dbraw/zinc/71/96/51/721719651.db2.gz GKYUWWCPOUFKEB-HXUWFJFHSA-N 2 2 411.598 3.471 20 0 HGADLP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(C[NH+](C)C(C)C)nnc3C2)nc1 ZINC001165010353 721719657 /nfs/dbraw/zinc/71/96/57/721719657.db2.gz GKYUWWCPOUFKEB-HXUWFJFHSA-N 2 2 411.598 3.471 20 0 HGADLP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1 ZINC001165010353 721719663 /nfs/dbraw/zinc/71/96/63/721719663.db2.gz GKYUWWCPOUFKEB-HXUWFJFHSA-N 2 2 411.598 3.471 20 0 HGADLP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1 ZINC001165010353 721719670 /nfs/dbraw/zinc/71/96/70/721719670.db2.gz GKYUWWCPOUFKEB-HXUWFJFHSA-N 2 2 411.598 3.471 20 0 HGADLP COc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1NC(C)C ZINC001165024452 721797757 /nfs/dbraw/zinc/79/77/57/721797757.db2.gz LBOFVLSYHXEEIF-DFQSSKMNSA-N 2 2 410.566 3.437 20 0 HGADLP COc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1NC(C)C ZINC001165024452 721797759 /nfs/dbraw/zinc/79/77/59/721797759.db2.gz LBOFVLSYHXEEIF-DFQSSKMNSA-N 2 2 410.566 3.437 20 0 HGADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCSCC4)nc[nH+]3)C[C@H]21 ZINC001165025650 721828197 /nfs/dbraw/zinc/82/81/97/721828197.db2.gz NFDIDNQRUIJKDH-CEWLAPEOSA-N 2 2 424.618 3.162 20 0 HGADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCSCC4)nc[nH+]3)C[C@H]21 ZINC001165025650 721828199 /nfs/dbraw/zinc/82/81/99/721828199.db2.gz NFDIDNQRUIJKDH-CEWLAPEOSA-N 2 2 424.618 3.162 20 0 HGADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)C[C@H]21 ZINC001165025650 721828202 /nfs/dbraw/zinc/82/82/02/721828202.db2.gz NFDIDNQRUIJKDH-CEWLAPEOSA-N 2 2 424.618 3.162 20 0 HGADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)C[C@H]21 ZINC001165025650 721828206 /nfs/dbraw/zinc/82/82/06/721828206.db2.gz NFDIDNQRUIJKDH-CEWLAPEOSA-N 2 2 424.618 3.162 20 0 HGADLP CCOC(=O)Cc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165019704 721831318 /nfs/dbraw/zinc/83/13/18/721831318.db2.gz BHNAZBDZCGCNPR-KSEOMHKRSA-N 2 2 408.546 3.319 20 0 HGADLP CCOC(=O)Cc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165019704 721831319 /nfs/dbraw/zinc/83/13/19/721831319.db2.gz BHNAZBDZCGCNPR-KSEOMHKRSA-N 2 2 408.546 3.319 20 0 HGADLP Cc1nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc(N2CCCC2)[nH+]1 ZINC001164695679 719887504 /nfs/dbraw/zinc/88/75/04/719887504.db2.gz QPDVDXACQCYPBE-UHFFFAOYSA-N 2 2 413.591 3.318 20 0 HGADLP Cc1nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc(N2CCCC2)[nH+]1 ZINC001164695679 719887507 /nfs/dbraw/zinc/88/75/07/719887507.db2.gz QPDVDXACQCYPBE-UHFFFAOYSA-N 2 2 413.591 3.318 20 0 HGADLP Cc1nc(N2CCCC2)cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)[nH+]1 ZINC001164695679 719887509 /nfs/dbraw/zinc/88/75/09/719887509.db2.gz QPDVDXACQCYPBE-UHFFFAOYSA-N 2 2 413.591 3.318 20 0 HGADLP Cc1nc(N2CCCC2)cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)[nH+]1 ZINC001164695679 719887510 /nfs/dbraw/zinc/88/75/10/719887510.db2.gz QPDVDXACQCYPBE-UHFFFAOYSA-N 2 2 413.591 3.318 20 0 HGADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164699149 719896761 /nfs/dbraw/zinc/89/67/61/719896761.db2.gz XTLSHCNRKWGPTI-UHFFFAOYSA-N 2 2 400.548 3.281 20 0 HGADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164699149 719896762 /nfs/dbraw/zinc/89/67/62/719896762.db2.gz XTLSHCNRKWGPTI-UHFFFAOYSA-N 2 2 400.548 3.281 20 0 HGADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(NC3CC3)c(C)c[nH+]1)CC2 ZINC001164709627 720093037 /nfs/dbraw/zinc/09/30/37/720093037.db2.gz BNTLEVMGVWXEKG-OAQYLSRUSA-N 2 2 422.577 3.262 20 0 HGADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(NC3CC3)c(C)c[nH+]1)CC2 ZINC001164709627 720093041 /nfs/dbraw/zinc/09/30/41/720093041.db2.gz BNTLEVMGVWXEKG-OAQYLSRUSA-N 2 2 422.577 3.262 20 0 HGADLP CCCN(CCC)c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc[nH+]1 ZINC001164807417 720143377 /nfs/dbraw/zinc/14/33/77/720143377.db2.gz CGMYRGZZWIBCLB-REWPJTCUSA-N 2 2 401.599 3.288 20 0 HGADLP CCCN(CCC)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)nc[nH+]1 ZINC001164807417 720143386 /nfs/dbraw/zinc/14/33/86/720143386.db2.gz CGMYRGZZWIBCLB-REWPJTCUSA-N 2 2 401.599 3.288 20 0 HGADLP CC(C)[N@H+]1[C@@H]2CCN(c3cc(N4CCCCC4)[nH+]cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842812 720601137 /nfs/dbraw/zinc/60/11/37/720601137.db2.gz VQIQWWVXDKKQRN-QHAWAJNXSA-N 2 2 409.582 3.041 20 0 HGADLP CC(C)[N@@H+]1[C@@H]2CCN(c3cc(N4CCCCC4)[nH+]cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842812 720601143 /nfs/dbraw/zinc/60/11/43/720601143.db2.gz VQIQWWVXDKKQRN-QHAWAJNXSA-N 2 2 409.582 3.041 20 0 HGADLP Clc1ccc(C[NH+]2CCCC2)c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164785483 721413890 /nfs/dbraw/zinc/41/38/90/721413890.db2.gz MRQKDVKCSIQKRX-IRXDYDNUSA-N 2 2 403.983 3.356 20 0 HGADLP COc1ccc2c[nH+]c(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)cc2c1 ZINC001164894939 721425226 /nfs/dbraw/zinc/42/52/26/721425226.db2.gz NOSRTIFNERBKRT-VWNXMTODSA-N 2 2 410.562 3.009 20 0 HGADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164796393 721497291 /nfs/dbraw/zinc/49/72/91/721497291.db2.gz UBDWQLKAIVIAHT-UHFFFAOYSA-N 3 2 420.605 3.109 20 0 HGADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164796393 721497293 /nfs/dbraw/zinc/49/72/93/721497293.db2.gz UBDWQLKAIVIAHT-UHFFFAOYSA-N 3 2 420.605 3.109 20 0 HGADLP COc1cc2cc[nH+]c(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2cc1OC ZINC001165010850 721706044 /nfs/dbraw/zinc/70/60/44/721706044.db2.gz NRJVTFKZJLYXLS-UHFFFAOYSA-N 2 2 410.522 3.094 20 0 HGADLP COc1cc2cc[nH+]c(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2cc1OC ZINC001165010850 721706047 /nfs/dbraw/zinc/70/60/47/721706047.db2.gz NRJVTFKZJLYXLS-UHFFFAOYSA-N 2 2 410.522 3.094 20 0 HGADLP Cc1cc2ccccc2c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)[nH+]1 ZINC001164916675 721789511 /nfs/dbraw/zinc/78/95/11/721789511.db2.gz SAYDQXRQDGHDPT-XMMPIXPASA-N 2 2 404.514 3.046 20 0 HGADLP Cc1cc2ccccc2c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)[nH+]1 ZINC001164916675 721789512 /nfs/dbraw/zinc/78/95/12/721789512.db2.gz SAYDQXRQDGHDPT-XMMPIXPASA-N 2 2 404.514 3.046 20 0 HGADLP Cc1cc2ccccc2c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)[nH+]1 ZINC001164916673 721789879 /nfs/dbraw/zinc/78/98/79/721789879.db2.gz SAYDQXRQDGHDPT-DEOSSOPVSA-N 2 2 404.514 3.046 20 0 HGADLP Cc1cc2ccccc2c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)[nH+]1 ZINC001164916673 721789883 /nfs/dbraw/zinc/78/98/83/721789883.db2.gz SAYDQXRQDGHDPT-DEOSSOPVSA-N 2 2 404.514 3.046 20 0 HGADLP Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]21 ZINC001164952272 722004708 /nfs/dbraw/zinc/00/47/08/722004708.db2.gz MBNNJOPCEHFNEX-UXHICEINSA-N 2 2 414.557 3.010 20 0 HGADLP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)nc1 ZINC001164831048 720399297 /nfs/dbraw/zinc/39/92/97/720399297.db2.gz UHKAUEVHFFPGFU-OAQYLSRUSA-N 2 2 420.565 3.265 20 0 HGADLP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)nc1 ZINC001164831048 720399303 /nfs/dbraw/zinc/39/93/03/720399303.db2.gz UHKAUEVHFFPGFU-OAQYLSRUSA-N 2 2 420.565 3.265 20 0 HGADLP CCc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C)[nH+]1 ZINC001164755922 720897790 /nfs/dbraw/zinc/89/77/90/720897790.db2.gz NFSIOQBUNMEOHB-WIOPSUGQSA-N 2 2 421.589 3.498 20 0 HGADLP CCc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C)[nH+]1 ZINC001164755922 720897792 /nfs/dbraw/zinc/89/77/92/720897792.db2.gz NFSIOQBUNMEOHB-WIOPSUGQSA-N 2 2 421.589 3.498 20 0 HGADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4[nH]c(C)c(C)c43)C2)C1 ZINC001164776201 721352337 /nfs/dbraw/zinc/35/23/37/721352337.db2.gz ALEZDMYMSAEIGZ-QHCPKHFHSA-N 2 2 424.549 3.299 20 0 HGADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4[nH]c(C)c(C)c43)C2)C1 ZINC001164776201 721352339 /nfs/dbraw/zinc/35/23/39/721352339.db2.gz ALEZDMYMSAEIGZ-QHCPKHFHSA-N 2 2 424.549 3.299 20 0 HGADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]cnc3[nH]cc(C)c31)CC2 ZINC001164784496 721448400 /nfs/dbraw/zinc/44/84/00/721448400.db2.gz FSSMJQJGIAWKJR-LJQANCHMSA-N 2 2 413.566 3.000 20 0 HGADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]cnc3[nH]cc(C)c31)CC2 ZINC001164784496 721448402 /nfs/dbraw/zinc/44/84/02/721448402.db2.gz FSSMJQJGIAWKJR-LJQANCHMSA-N 2 2 413.566 3.000 20 0 HGADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCSCC4)nc[nH+]3)C[C@@H]21 ZINC001165025657 721828298 /nfs/dbraw/zinc/82/82/98/721828298.db2.gz NFDIDNQRUIJKDH-SESVDKBCSA-N 2 2 424.618 3.162 20 0 HGADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCSCC4)nc[nH+]3)C[C@@H]21 ZINC001165025657 721828300 /nfs/dbraw/zinc/82/83/00/721828300.db2.gz NFDIDNQRUIJKDH-SESVDKBCSA-N 2 2 424.618 3.162 20 0 HGADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)C[C@@H]21 ZINC001165025657 721828301 /nfs/dbraw/zinc/82/83/01/721828301.db2.gz NFDIDNQRUIJKDH-SESVDKBCSA-N 2 2 424.618 3.162 20 0 HGADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)C[C@@H]21 ZINC001165025657 721828302 /nfs/dbraw/zinc/82/83/02/721828302.db2.gz NFDIDNQRUIJKDH-SESVDKBCSA-N 2 2 424.618 3.162 20 0 HGADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC001165037780 721918564 /nfs/dbraw/zinc/91/85/64/721918564.db2.gz JQYWUGQVGMMVCE-GOSISDBHSA-N 2 2 417.623 3.451 20 0 HGADLP